2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide

C29H28ClN3O2 — CID 18409526

IUPAC2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1
InChIInChI=1S/C29H28ClN3O2/c1-19(14-20-10-12-23(30)13-11-20)33-29(34)27(16-22-17-31-26-8-4-3-7-25(22)26)32-18-24-15-21-6-2-5-9-28(21)35-24/h2-13,15,17,19,27,31-32H,14,16,18H2,1H3,(H,33,34)
InChIKeyLJRCWBBIWIQWEV-UHFFFAOYSA-N
MW486.02 g/mol
LogP6.02
Rot. Bonds9

About 2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide

2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 18409526) has the molecular formula C29H28ClN3O2 and a molecular weight of 486.02 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID18409526
Molecular FormulaC29H28ClN3O2
Molecular Weight486.02 g/mol
Exact Mass485.19
IUPAC Name2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1
InChIInChI=1S/C29H28ClN3O2/c1-19(14-20-10-12-23(30)13-11-20)33-29(34)27(16-22-17-31-26-8-4-3-7-25(22)26)32-18-24-15-21-6-2-5-9-28(21)35-24/h2-13,15,17,19,27,31-32H,14,16,18H2,1H3,(H,33,34)
InChIKeyLJRCWBBIWIQWEV-UHFFFAOYSA-N
XLogP6.02
TPSA70.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.02
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 57149915
2-(1-benzofuran-2-ylmethylamino)-N-[(2,5-dichlorothiophen-3-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 18409844
2-(1-benzofuran-2-ylmethylamino)-N-cyclohexyl-3-(1H-indol-3-yl)propanamide
CID 18409629
2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-(quinolin-3-ylmethyl)propanamide
CID 18409865
5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide
CID 41010023
1-benzofuran-2-carboxylic acid;2-(1-benzofuran-2-yl)ethanol;2-[2-(1-benzofuran-2-yl)ethylamino]-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide;molecular hydrogen
CID 159172090
CID 159282439
CID 159282439
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 40819780
(2S)-2-formamido-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 146389130
2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide
CID 18409589
N-[1-(1H-indol-3-yl)propan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 2827377
(2R)-2-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51996020

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide (CID 18409526) is 2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide is CC(Cc1ccc(Cl)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is LJRCWBBIWIQWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN3O2/c1-19(14-20-10-12-23(30)13-11-20)33-29(34)27(16-22-17-31-26-8-4-3-7-25(22)26)32-18-24-15-21-6-2-5-9-28(21)35-24/h2-13,15,17,19,27,31-32H,14,16,18H2,1H3,(H,33,34).
What are the key properties of 2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide?
2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 486.02 g/mol, XLogP of 6.02, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 18409526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).