4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate

C106H103Br5N14O16 — CID 159239639

IUPAC4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate
SMILESCOC(=O)c1ccc(Br)c2c(C=O)c[nH]c12.COC(=O)c1ccc(Br)c2c(CNCc3ccc(OC)cc3)c[nH]c12.COC(=O)c1ccc(Br)c2cc[nH]c12.COc1ccc(CNCc2c[nH]c3c(C(=O)O)ccc(Br)c23)cc1.COc1ccc(CNCc2c[nH]c3c(C(N)=O)ccc(Br)c23)cc1.COc1ccc(CNCc2c[nH]c3c(C(N)=O)ccc(C)c23)cc1.Cc1ccc(C(N)=O)c2[nH]cc(C)c12
InChIInChI=1S/C19H19BrN2O3.C19H21N3O2.C18H18BrN3O2.C18H17BrN2O3.C11H8BrNO3.C11H12N2O.C10H8BrNO2/c1-24-14-5-3-12(4-6-14)9-21-10-13-11-22-18-15(19(23)25-2)7-8-16(20)17(13)18;1-12-3-8-16(19(20)23)18-17(12)14(11-22-18)10-21-9-13-4-6-15(24-2)7-5-13;1-24-13-4-2-11(3-5-13)8-21-9-12-10-22-17-14(18(20)23)6-7-15(19)16(12)17;1-24-13-4-2-11(3-5-13)8-20-9-12-10-21-17-14(18(22)23)6-7-15(19)16(12)17;1-16-11(15)7-2-3-8(12)9-6(5-14)4-13-10(7)9;1-6-3-4-8(11(12)14)10-9(6)7(2)5-13-10;1-14-10(13)7-2-3-8(11)6-4-5-12-9(6)7/h3-8,11,21-22H,9-10H2,1-2H3;3-8,11,21-22H,9-10H2,1-2H3,(H2,20,23);2-7,10,21-22H,8-9H2,1H3,(H2,20,23);2-7,10,20-21H,8-9H2,1H3,(H,22,23);2-5,13H,1H3;3-5,13H,1-2H3,(H2,12,14);2-5,12H,1H3
InChIKeyKTXMGAQYBWMIKM-UHFFFAOYSA-N
MW2228.59 g/mol
LogP21.27
Rot. Bonds28

About 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate

4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate (PubChem CID 159239639) has the molecular formula C106H103Br5N14O16 and a molecular weight of 2228.59 g/mol. Its IUPAC name is 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate.

Molecular Properties

Compound Name4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate
PubChem CID159239639
Molecular FormulaC106H103Br5N14O16
Molecular Weight2228.59 g/mol
Exact Mass2222.36
IUPAC Name4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate
SMILESCOC(=O)c1ccc(Br)c2c(C=O)c[nH]c12.COC(=O)c1ccc(Br)c2c(CNCc3ccc(OC)cc3)c[nH]c12.COC(=O)c1ccc(Br)c2cc[nH]c12.COc1ccc(CNCc2c[nH]c3c(C(=O)O)ccc(Br)c23)cc1.COc1ccc(CNCc2c[nH]c3c(C(N)=O)ccc(Br)c23)cc1.COc1ccc(CNCc2c[nH]c3c(C(N)=O)ccc(C)c23)cc1.Cc1ccc(C(N)=O)c2[nH]cc(C)c12
InChIInChI=1S/C19H19BrN2O3.C19H21N3O2.C18H18BrN3O2.C18H17BrN2O3.C11H8BrNO3.C11H12N2O.C10H8BrNO2/c1-24-14-5-3-12(4-6-14)9-21-10-13-11-22-18-15(19(23)25-2)7-8-16(20)17(13)18;1-12-3-8-16(19(20)23)18-17(12)14(11-22-18)10-21-9-13-4-6-15(24-2)7-5-13;1-24-13-4-2-11(3-5-13)8-21-9-12-10-22-17-14(18(20)23)6-7-15(19)16(12)17;1-24-13-4-2-11(3-5-13)8-20-9-12-10-21-17-14(18(22)23)6-7-15(19)16(12)17;1-16-11(15)7-2-3-8(12)9-6(5-14)4-13-10(7)9;1-6-3-4-8(11(12)14)10-9(6)7(2)5-13-10;1-14-10(13)7-2-3-8(11)6-4-5-12-9(6)7/h3-8,11,21-22H,9-10H2,1-2H3;3-8,11,21-22H,9-10H2,1-2H3,(H2,20,23);2-7,10,21-22H,8-9H2,1H3,(H2,20,23);2-7,10,20-21H,8-9H2,1H3,(H,22,23);2-5,13H,1H3;3-5,13H,1-2H3,(H2,12,14);2-5,12H,1H3
InChIKeyKTXMGAQYBWMIKM-UHFFFAOYSA-N
XLogP21.27
TPSA458.11 Ų
H-Bond Donors15
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002228.59
LogP ≤ 521.27
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate with MolForge

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Related Compounds

CID 157116301
CID 157116301
4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate
CID 157276073
4-bromo-3-isocyano-6-methoxy-1H-indole;ethyl 3-(3-isocyano-6-methoxy-1H-indol-4-yl)-3-phenylpropanoate;ethyl (E)-3-(3-isocyano-6-methoxy-1H-indol-4-yl)-3-phenylprop-2-enoate;3-(3-isocyano-6-methoxy-1H-indol-4-yl)-N-methyl-3-phenylpropan-1-amine;3-(3-isocyano-6-methoxy-1H-indol-4-yl)-3-phenylpropan-1-ol
CID 157533238
4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid
CID 157594884
3-amino-2-methylbenzoic acid;3-(cyclohexen-1-yl)-7-methyl-1H-indole-6-carboxylic acid;3-cyclohexyl-7-methyl-1H-indole-6-carboxylic acid;methyl 3-amino-4-(2,2-dimethoxy-1-methylsulfanylethyl)-2-methylbenzoate;methyl 3-amino-2-methylbenzoate;methyl 2-bromo-3-cyclohexyl-7-methyl-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(furan-3-yl)-7-methyl-1H-indole-6-carboxylate;methyl 3,7-dimethyl-1H-indole-6-carboxylate;methyl 7-methyl-1H-indole-6-carboxylate
CID 158237838
methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate
CID 158951094
6-bromo-1H-indole;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide;3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropan-1-amine;methyl (E)-but-2-enoate;methyl 3-(1H-indol-6-yl)-3-(3-methoxyphenyl)propanoate;methyl (E)-3-(1H-indol-6-yl)prop-2-enoate
CID 159047394
4-bromo-1H-indole;4-(2,3-dihydro-1H-indol-4-yl)-2,3-dihydro-1H-indole;4-[4-[1-(4-formyl-3-methoxybenzoyl)-2,3-dihydroindol-4-yl]-2,3-dihydroindole-1-carbonyl]-2-methoxybenzaldehyde;4-(1H-indol-4-yl)-1H-indole
CID 159310315
5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carboxamide;5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide;1H-indol-5-ylboronic acid
CID 159739781
4-bromo-3-isocyano-6-methoxy-1H-indole;ethyl 3-(3-isocyano-6-methoxy-1H-indol-4-yl)-3-phenylpropanoate;ethyl (E)-3-(3-isocyano-6-methoxy-1H-indol-4-yl)-3-phenylprop-2-enoate;3-(3-isocyano-6-methoxy-1H-indol-4-yl)-N-methyl-3-phenylpropan-1-amine;3-(3-isocyano-6-methoxy-1H-indol-4-yl)-3-phenylpropan-1-ol;methane
CID 160756495
4-[4-[(6-bromonaphthalene-2-carbonyl)amino]phenyl]cyclohexane-1-carboxylic acid;4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylic acid;methyl (2R)-1-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylate;bis(methyl (2S)-1-[3-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]propanoyl]pyrrolidine-2-carboxylate);propan-2-yl 4-[4-(1H-indole-6-carbonylamino)phenyl]cyclohexane-1-carboxylate
CID 160832577
5-(4-bromophenyl)-1H-indole;5-(4-bromophenyl)-1H-indole-3-carbaldehyde;5-(4-bromophenyl)-1H-indole-3-carbonitrile;5-(4-bromophenyl)-1H-indole-3-carboxamide;bis(5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxamide);1H-indol-5-ylboronic acid
CID 160929934

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate?
The IUPAC name of 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate (CID 159239639) is 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate.
What is the SMILES notation for 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate?
The canonical SMILES for 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate is COC(=O)c1ccc(Br)c2c(C=O)c[nH]c12.COC(=O)c1ccc(Br)c2c(CNCc3ccc(OC)cc3)c[nH]c12.COC(=O)c1ccc(Br)c2cc[nH]c12.COc1ccc(CNCc2c[nH]c3c(C(=O)O)ccc(Br)c23)cc1.COc1ccc(CNCc2c[nH]c3c(C(N)=O)ccc(Br)c23)cc1.COc1ccc(CNCc2c[nH]c3c(C(N)=O)ccc(C)c23)cc1.Cc1ccc(C(N)=O)c2[nH]cc(C)c12.
What is the InChIKey of 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate?
The InChIKey is KTXMGAQYBWMIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3.C19H21N3O2.C18H18BrN3O2.C18H17BrN2O3.C11H8BrNO3.C11H12N2O.C10H8BrNO2/c1-24-14-5-3-12(4-6-14)9-21-10-13-11-22-18-15(19(23)25-2)7-8-16(20)17(13)18;1-12-3-8-16(19(20)23)18-17(12)14(11-22-18)10-21-9-13-4-6-15(24-2)7-5-13;1-24-13-4-2-11(3-5-13)8-21-9-12-10-22-17-14(18(20)23)6-7-15(19)16(12)17;1-24-13-4-2-11(3-5-13)8-20-9-12-10-21-17-14(18(22)23)6-7-15(19)16(12)17;1-16-11(15)7-2-3-8(12)9-6(5-14)4-13-10(7)9;1-6-3-4-8(11(12)14)10-9(6)7(2)5-13-10;1-14-10(13)7-2-3-8(11)6-4-5-12-9(6)7/h3-8,11,21-22H,9-10H2,1-2H3;3-8,11,21-22H,9-10H2,1-2H3,(H2,20,23);2-7,10,21-22H,8-9H2,1H3,(H2,20,23);2-7,10,20-21H,8-9H2,1H3,(H,22,23);2-5,13H,1H3;3-5,13H,1-2H3,(H2,12,14);2-5,12H,1H3.
What are the key properties of 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate?
4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate has a molecular weight of 2228.59 g/mol, XLogP of 21.27, 28 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxamide;4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid;3,4-dimethyl-1H-indole-7-carboxamide;3-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-1H-indole-7-carboxamide;methyl 4-bromo-3-formyl-1H-indole-7-carboxylate;methyl 4-bromo-1H-indole-7-carboxylate;methyl 4-bromo-3-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylate is sourced from PubChem (CID 159239639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).