N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide

C24H28Cl2N2O2 — CID 132612519

IUPACN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1
InChIInChI=1S/C24H28Cl2N2O2/c1-2-22(24(30)27-20-10-6-7-11-20)28(16-18-12-13-19(25)15-21(18)26)23(29)14-17-8-4-3-5-9-17/h3-5,8-9,12-13,15,20,22H,2,6-7,10-11,14,16H2,1H3,(H,27,30)
InChIKeyOTFOIGLEMALJMY-UHFFFAOYSA-N
MW447.41 g/mol
LogP5.40
Rot. Bonds8

About N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide

N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide (PubChem CID 132612519) has the molecular formula C24H28Cl2N2O2 and a molecular weight of 447.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
PubChem CID132612519
Molecular FormulaC24H28Cl2N2O2
Molecular Weight447.41 g/mol
Exact Mass446.15
IUPAC NameN-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1
InChIInChI=1S/C24H28Cl2N2O2/c1-2-22(24(30)27-20-10-6-7-11-20)28(16-18-12-13-19(25)15-21(18)26)23(29)14-17-8-4-3-5-9-17/h3-5,8-9,12-13,15,20,22H,2,6-7,10-11,14,16H2,1H3,(H,27,30)
InChIKeyOTFOIGLEMALJMY-UHFFFAOYSA-N
XLogP5.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.41
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132614253
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 132616133
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide
CID 132614801
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide
CID 132617939
(2R)-2-[(2-benzylsulfanylacetyl)-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100569619
2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132614247
(2S)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 100647701
(2S)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 100569380
2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132618808
N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 100533245
(2S)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-3-phenylpropanamide
CID 100649113
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanamide
CID 133253732

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide (CID 132612519) is N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide is CCC(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1.
What is the InChIKey of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide?
The InChIKey is OTFOIGLEMALJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O2/c1-2-22(24(30)27-20-10-6-7-11-20)28(16-18-12-13-19(25)15-21(18)26)23(29)14-17-8-4-3-5-9-17/h3-5,8-9,12-13,15,20,22H,2,6-7,10-11,14,16H2,1H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide?
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide has a molecular weight of 447.41 g/mol, XLogP of 5.40, 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-(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 132612519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).