2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane

C54H61Br2Cl3N8O4 — CID 158719637

IUPAC2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane
SMILESC.CC(=O)N(CCc1cccc(Br)c1)CC(=O)Nc1ccc(Cl)cn1.Cc1cccc(CCCC(=O)CNc2ccc(Cl)cn2)c1.O=C(CN(CCc1cccc(Br)c1)CC1CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H21BrClN3O.C17H17BrClN3O2.C17H19ClN2O.CH4/c20-16-3-1-2-14(10-16)8-9-24(12-15-4-5-15)13-19(25)23-18-7-6-17(21)11-22-18;1-12(23)22(8-7-13-3-2-4-14(18)9-13)11-17(24)21-16-6-5-15(19)10-20-16;1-13-4-2-5-14(10-13)6-3-7-16(21)12-20-17-9-8-15(18)11-19-17;/h1-3,6-7,10-11,15H,4-5,8-9,12-13H2,(H,22,23,25);2-6,9-10H,7-8,11H2,1H3,(H,20,21,24);2,4-5,8-11H,3,6-7,12H2,1H3,(H,19,20);1H4
InChIKeyIJTCWOPEMPUYND-UHFFFAOYSA-N
MW1152.30 g/mol
LogP12.60
Rot. Bonds21

About 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane

2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane (PubChem CID 158719637) has the molecular formula C54H61Br2Cl3N8O4 and a molecular weight of 1152.30 g/mol. Its IUPAC name is 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane.

Molecular Properties

Compound Name2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane
PubChem CID158719637
Molecular FormulaC54H61Br2Cl3N8O4
Molecular Weight1152.30 g/mol
Exact Mass1148.22
IUPAC Name2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane
SMILESC.CC(=O)N(CCc1cccc(Br)c1)CC(=O)Nc1ccc(Cl)cn1.Cc1cccc(CCCC(=O)CNc2ccc(Cl)cn2)c1.O=C(CN(CCc1cccc(Br)c1)CC1CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H21BrClN3O.C17H17BrClN3O2.C17H19ClN2O.CH4/c20-16-3-1-2-14(10-16)8-9-24(12-15-4-5-15)13-19(25)23-18-7-6-17(21)11-22-18;1-12(23)22(8-7-13-3-2-4-14(18)9-13)11-17(24)21-16-6-5-15(19)10-20-16;1-13-4-2-5-14(10-13)6-3-7-16(21)12-20-17-9-8-15(18)11-19-17;/h1-3,6-7,10-11,15H,4-5,8-9,12-13H2,(H,22,23,25);2-6,9-10H,7-8,11H2,1H3,(H,20,21,24);2,4-5,8-11H,3,6-7,12H2,1H3,(H,19,20);1H4
InChIKeyIJTCWOPEMPUYND-UHFFFAOYSA-N
XLogP12.60
TPSA149.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001152.30
LogP ≤ 512.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane with MolForge

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Related Compounds

2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide
CID 145199344
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-methylbenzamide
CID 157133396
N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 157207067
5-bromo-2-chloropyridine;2-chloro-5-phenylpyridine;(3R)-1-cyano-N-methyl-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-5-phenylpyridin-2-amine
CID 157328334
N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide
CID 158588440
N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 158882951
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-methylbenzamide)
CID 159006338
N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 159178476
5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide
CID 159472801
N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;3-chloro-N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 159613473
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methylbenzamide
CID 160298863
5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide
CID 160983677

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane?
The IUPAC name of 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane (CID 158719637) is 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane.
What is the SMILES notation for 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane?
The canonical SMILES for 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane is C.CC(=O)N(CCc1cccc(Br)c1)CC(=O)Nc1ccc(Cl)cn1.Cc1cccc(CCCC(=O)CNc2ccc(Cl)cn2)c1.O=C(CN(CCc1cccc(Br)c1)CC1CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane?
The InChIKey is IJTCWOPEMPUYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O.C17H17BrClN3O2.C17H19ClN2O.CH4/c20-16-3-1-2-14(10-16)8-9-24(12-15-4-5-15)13-19(25)23-18-7-6-17(21)11-22-18;1-12(23)22(8-7-13-3-2-4-14(18)9-13)11-17(24)21-16-6-5-15(19)10-20-16;1-13-4-2-5-14(10-13)6-3-7-16(21)12-20-17-9-8-15(18)11-19-17;/h1-3,6-7,10-11,15H,4-5,8-9,12-13H2,(H,22,23,25);2-6,9-10H,7-8,11H2,1H3,(H,20,21,24);2,4-5,8-11H,3,6-7,12H2,1H3,(H,19,20);1H4.
What are the key properties of 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane?
2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane has a molecular weight of 1152.30 g/mol, XLogP of 12.60, 21 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3-bromophenyl)ethyl]amino]-N-(5-chloro-2-pyridinyl)acetamide;2-[2-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]-N-(5-chloro-2-pyridinyl)acetamide;1-[(5-chloro-2-pyridinyl)amino]-5-(3-methylphenyl)pentan-2-one;methane is sourced from PubChem (CID 158719637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).