N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide

C29H28Cl4N2O2 — CID 133251577

IUPACN-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
SMILESO=C(NC1CCCC1)C(Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C29H28Cl4N2O2/c30-22-12-11-21(25(32)17-22)16-28(36)35(18-20-10-13-24(31)26(33)14-20)27(15-19-6-2-1-3-7-19)29(37)34-23-8-4-5-9-23/h1-3,6-7,10-14,17,23,27H,4-5,8-9,15-16,18H2,(H,34,37)
InChIKeyPZCTZUAUQSMNPB-UHFFFAOYSA-N
MW578.37 g/mol
LogP7.54
Rot. Bonds9

About N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide

N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide (PubChem CID 133251577) has the molecular formula C29H28Cl4N2O2 and a molecular weight of 578.37 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
PubChem CID133251577
Molecular FormulaC29H28Cl4N2O2
Molecular Weight578.37 g/mol
Exact Mass576.09
IUPAC NameN-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
SMILESO=C(NC1CCCC1)C(Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C29H28Cl4N2O2/c30-22-12-11-21(25(32)17-22)16-28(36)35(18-20-10-13-24(31)26(33)14-20)27(15-19-6-2-1-3-7-19)29(37)34-23-8-4-5-9-23/h1-3,6-7,10-14,17,23,27H,4-5,8-9,15-16,18H2,(H,34,37)
InChIKeyPZCTZUAUQSMNPB-UHFFFAOYSA-N
XLogP7.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.37
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide 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

2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133248504
2-[[2-(4-chlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133251462
N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133247494
2-[(4-bromophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133254851
(2S)-2-[(4-chlorophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100508712
(2S)-N-cyclohexyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 100656637
(2R)-2-[[2-(3-chlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100656589
2-[(4-chlorophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133177876
2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133263656
(2R)-N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 100538338
2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132622691
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133251579

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide?
The IUPAC name of N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide (CID 133251577) is N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide is O=C(NC1CCCC1)C(Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide?
The InChIKey is PZCTZUAUQSMNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl4N2O2/c30-22-12-11-21(25(32)17-22)16-28(36)35(18-20-10-13-24(31)26(33)14-20)27(15-19-6-2-1-3-7-19)29(37)34-23-8-4-5-9-23/h1-3,6-7,10-14,17,23,27H,4-5,8-9,15-16,18H2,(H,34,37).
What are the key properties of N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide?
N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide has a molecular weight of 578.37 g/mol, XLogP of 7.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 133251577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).