2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide

C25H31ClN2O2 — CID 133263009

IUPAC2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide
SMILESCc1cc(C)cc(CC(=O)N(Cc2cccc(Cl)c2)C(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C25H31ClN2O2/c1-17-11-18(2)13-21(12-17)15-24(29)28(16-20-7-6-8-22(26)14-20)19(3)25(30)27-23-9-4-5-10-23/h6-8,11-14,19,23H,4-5,9-10,15-16H2,1-3H3,(H,27,30)
InChIKeySRAINLYWCCVEMW-UHFFFAOYSA-N
MW426.99 g/mol
LogP4.98
Rot. Bonds7

About 2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide

2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide (PubChem CID 133263009) has the molecular formula C25H31ClN2O2 and a molecular weight of 426.99 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide
PubChem CID133263009
Molecular FormulaC25H31ClN2O2
Molecular Weight426.99 g/mol
Exact Mass426.21
IUPAC Name2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide
SMILESCc1cc(C)cc(CC(=O)N(Cc2cccc(Cl)c2)C(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C25H31ClN2O2/c1-17-11-18(2)13-21(12-17)15-24(29)28(16-20-7-6-8-22(26)14-20)19(3)25(30)27-23-9-4-5-10-23/h6-8,11-14,19,23H,4-5,9-10,15-16H2,1-3H3,(H,27,30)
InChIKeySRAINLYWCCVEMW-UHFFFAOYSA-N
XLogP4.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100600545
2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 133248539
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196486
(2S)-2-[(3-chlorophenyl)methyl-[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 100550184
2-[[2-(3-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612036
2-[(3-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 133247358
2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132615143
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132763256
N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133261635
(2R)-2-[[2-(3-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100516488
2-[(3-chlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 133193986
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132614274

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide (CID 133263009) is 2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide is Cc1cc(C)cc(CC(=O)N(Cc2cccc(Cl)c2)C(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide?
The InChIKey is SRAINLYWCCVEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O2/c1-17-11-18(2)13-21(12-17)15-24(29)28(16-20-7-6-8-22(26)14-20)19(3)25(30)27-23-9-4-5-10-23/h6-8,11-14,19,23H,4-5,9-10,15-16H2,1-3H3,(H,27,30).
What are the key properties of 2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide?
2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide has a molecular weight of 426.99 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 133263009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).