N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide

C110H116F2N12O7 — CID 159050343

IUPACN-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide
SMILESCN(C)CCCn1ccc2cc(Cc3cccc(C(=O)Nc4ccc(F)cc4)c3)ccc21.CN(C)CCCn1ccc2cc(Cc3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)ccc21.CN(C)CCCn1ccc2cc(Cc3cccc(C(=O)Nc4cccc(F)c4)c3)ccc21.COc1ccc(NC(=O)c2cccc(Cc3ccc4c(ccn4CCCN(C)C)c3)c2)cc1
InChIInChI=1S/C28H29N3O3.C28H31N3O2.2C27H28FN3O/c1-30(2)12-4-13-31-14-11-22-16-21(7-9-25(22)31)15-20-5-3-6-23(17-20)28(32)29-24-8-10-26-27(18-24)34-19-33-26;1-30(2)15-5-16-31-17-14-23-19-22(8-13-27(23)31)18-21-6-4-7-24(20-21)28(32)29-25-9-11-26(33-3)12-10-25;1-30(2)13-5-14-31-15-12-22-17-21(10-11-26(22)31)16-20-6-3-7-23(18-20)27(32)29-25-9-4-8-24(28)19-25;1-30(2)14-4-15-31-16-13-22-18-21(7-12-26(22)31)17-20-5-3-6-23(19-20)27(32)29-25-10-8-24(28)9-11-25/h3,5-11,14,16-18H,4,12-13,15,19H2,1-2H3,(H,29,32);4,6-14,17,19-20H,5,15-16,18H2,1-3H3,(H,29,32);3-4,6-12,15,17-19H,5,13-14,16H2,1-2H3,(H,29,32);3,5-13,16,18-19H,4,14-15,17H2,1-2H3,(H,29,32)
InChIKeyJXEKVTWOXSKBFA-UHFFFAOYSA-N
MW1756.21 g/mol
LogP21.76
Rot. Bonds33

About N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide

N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 159050343) has the molecular formula C110H116F2N12O7 and a molecular weight of 1756.21 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide
PubChem CID159050343
Molecular FormulaC110H116F2N12O7
Molecular Weight1756.21 g/mol
Exact Mass1754.91
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide
SMILESCN(C)CCCn1ccc2cc(Cc3cccc(C(=O)Nc4ccc(F)cc4)c3)ccc21.CN(C)CCCn1ccc2cc(Cc3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)ccc21.CN(C)CCCn1ccc2cc(Cc3cccc(C(=O)Nc4cccc(F)c4)c3)ccc21.COc1ccc(NC(=O)c2cccc(Cc3ccc4c(ccn4CCCN(C)C)c3)c2)cc1
InChIInChI=1S/C28H29N3O3.C28H31N3O2.2C27H28FN3O/c1-30(2)12-4-13-31-14-11-22-16-21(7-9-25(22)31)15-20-5-3-6-23(17-20)28(32)29-24-8-10-26-27(18-24)34-19-33-26;1-30(2)15-5-16-31-17-14-23-19-22(8-13-27(23)31)18-21-6-4-7-24(20-21)28(32)29-25-9-11-26(33-3)12-10-25;1-30(2)13-5-14-31-15-12-22-17-21(10-11-26(22)31)16-20-6-3-7-23(18-20)27(32)29-25-9-4-8-24(28)19-25;1-30(2)14-4-15-31-16-13-22-18-21(7-12-26(22)31)17-20-5-3-6-23(19-20)27(32)29-25-10-8-24(28)9-11-25/h3,5-11,14,16-18H,4,12-13,15,19H2,1-2H3,(H,29,32);4,6-14,17,19-20H,5,15-16,18H2,1-3H3,(H,29,32);3-4,6-12,15,17-19H,5,13-14,16H2,1-2H3,(H,29,32);3,5-13,16,18-19H,4,14-15,17H2,1-2H3,(H,29,32)
InChIKeyJXEKVTWOXSKBFA-UHFFFAOYSA-N
XLogP21.76
TPSA176.77 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001756.21
LogP ≤ 521.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide with MolForge

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide
CID 24516141
N-[5-(3,4-dimethoxyanilino)-1-(1-methylindol-3-yl)-5-oxopent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 88286933
N-[5-(3,4-dimethoxyanilino)-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 88286954
1-(3,5-Dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine
CID 157480004
1-(1,3-benzodioxol-5-yl)-2,6-dimethylindole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-6-fluoro-2-methylindole-3-carbonitrile;benzyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 159051800
5-(5-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 161463746
5-(5-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(1,3-benzodioxol-5-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 161903890
N-[2-(1,3-benzodioxol-5-ylamino)-1-(1H-indol-3-yl)-2-oxoethyl]-2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(4-fluorobenzyl)acetamide
CID 4130995
N-(benzo[d][1,3]dioxol-5-yl)-2-(1-(4-fluorobenzyl)-1H-indol-3-yl)acetamide
CID 41109096
N-1,3-benzodioxol-5-yl-2-oxo-2-{1-[3-(trifluoromethyl)benzyl]-1H-indol-3-yl}acetamide
CID 46786093
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide
CID 92343355
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide
CID 92343356

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide (CID 159050343) is N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide is CN(C)CCCn1ccc2cc(Cc3cccc(C(=O)Nc4ccc(F)cc4)c3)ccc21.CN(C)CCCn1ccc2cc(Cc3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)ccc21.CN(C)CCCn1ccc2cc(Cc3cccc(C(=O)Nc4cccc(F)c4)c3)ccc21.COc1ccc(NC(=O)c2cccc(Cc3ccc4c(ccn4CCCN(C)C)c3)c2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is JXEKVTWOXSKBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3.C28H31N3O2.2C27H28FN3O/c1-30(2)12-4-13-31-14-11-22-16-21(7-9-25(22)31)15-20-5-3-6-23(17-20)28(32)29-24-8-10-26-27(18-24)34-19-33-26;1-30(2)15-5-16-31-17-14-23-19-22(8-13-27(23)31)18-21-6-4-7-24(20-21)28(32)29-25-9-11-26(33-3)12-10-25;1-30(2)13-5-14-31-15-12-22-17-21(10-11-26(22)31)16-20-6-3-7-23(18-20)27(32)29-25-9-4-8-24(28)19-25;1-30(2)14-4-15-31-16-13-22-18-21(7-12-26(22)31)17-20-5-3-6-23(19-20)27(32)29-25-10-8-24(28)9-11-25/h3,5-11,14,16-18H,4,12-13,15,19H2,1-2H3,(H,29,32);4,6-14,17,19-20H,5,15-16,18H2,1-3H3,(H,29,32);3-4,6-12,15,17-19H,5,13-14,16H2,1-2H3,(H,29,32);3,5-13,16,18-19H,4,14-15,17H2,1-2H3,(H,29,32).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide?
N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 1756.21 g/mol, XLogP of 21.76, 33 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 159050343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).