N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide

C25H30Cl2N2O2 — CID 132614301

IUPACN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
SMILESCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C25H30Cl2N2O2/c1-17-7-9-19(10-8-17)11-14-24(30)29(16-20-12-13-21(26)15-23(20)27)18(2)25(31)28-22-5-3-4-6-22/h7-10,12-13,15,18,22H,3-6,11,14,16H2,1-2H3,(H,28,31)
InChIKeyJFOSQVXLHCVHOO-UHFFFAOYSA-N
MW461.43 g/mol
LogP5.71
Rot. Bonds8

About N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide

N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide (PubChem CID 132614301) has the molecular formula C25H30Cl2N2O2 and a molecular weight of 461.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
PubChem CID132614301
Molecular FormulaC25H30Cl2N2O2
Molecular Weight461.43 g/mol
Exact Mass460.17
IUPAC NameN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
SMILESCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C25H30Cl2N2O2/c1-17-7-9-19(10-8-17)11-14-24(30)29(16-20-12-13-21(26)15-23(20)27)18(2)25(31)28-22-5-3-4-6-22/h7-10,12-13,15,18,22H,3-6,11,14,16H2,1-2H3,(H,28,31)
InChIKeyJFOSQVXLHCVHOO-UHFFFAOYSA-N
XLogP5.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.43
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(2,4-dichlorophenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 132620007
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-propanoylamino]propanamide
CID 132762203
N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(2,4-dichlorophenyl)methyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 132632409
2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132615143
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 132616133
(2R)-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 125057918
(2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 100696901
2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247720
(2R)-N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 125056824
2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide
CID 132670433
(2S)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 100647701
2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132659762

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide (CID 132614301) is N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide is Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide?
The InChIKey is JFOSQVXLHCVHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2O2/c1-17-7-9-19(10-8-17)11-14-24(30)29(16-20-12-13-21(26)15-23(20)27)18(2)25(31)28-22-5-3-4-6-22/h7-10,12-13,15,18,22H,3-6,11,14,16H2,1-2H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide?
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide has a molecular weight of 461.43 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide is sourced from PubChem (CID 132614301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).