2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide

C25H29Cl3N2O2 — CID 132618808

IUPAC2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C25H29Cl3N2O2/c1-2-23(25(32)29-20-8-4-5-9-20)30(16-18-11-13-19(26)15-22(18)28)24(31)14-12-17-7-3-6-10-21(17)27/h3,6-7,10-11,13,15,20,23H,2,4-5,8-9,12,14,16H2,1H3,(H,29,32)
InChIKeyIAHUDDVJSNIYDZ-UHFFFAOYSA-N
MW495.88 g/mol
LogP6.45
Rot. Bonds9

About 2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide

2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide (PubChem CID 132618808) has the molecular formula C25H29Cl3N2O2 and a molecular weight of 495.88 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
PubChem CID132618808
Molecular FormulaC25H29Cl3N2O2
Molecular Weight495.88 g/mol
Exact Mass494.13
IUPAC Name2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C25H29Cl3N2O2/c1-2-23(25(32)29-20-8-4-5-9-20)30(16-18-11-13-19(26)15-22(18)28)24(31)14-12-17-7-3-6-10-21(17)27/h3,6-7,10-11,13,15,20,23H,2,4-5,8-9,12,14,16H2,1H3,(H,29,32)
InChIKeyIAHUDDVJSNIYDZ-UHFFFAOYSA-N
XLogP6.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.88
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 132616133
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
CID 132622824
2-[(4-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclohexylbutanamide
CID 132616113
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132612519
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide
CID 132614801
2-[3-(2-chlorophenyl)propanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132620630
(2S)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 100569380
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide
CID 132761965
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]amino]butanamide
CID 132624110
2-[4-(4-chlorophenoxy)butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132625179
(2R)-2-[4-(4-chlorophenoxy)butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100573855
2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132614247

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide?
The IUPAC name of 2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide (CID 132618808) is 2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide is CCC(C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl.
What is the InChIKey of 2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide?
The InChIKey is IAHUDDVJSNIYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl3N2O2/c1-2-23(25(32)29-20-8-4-5-9-20)30(16-18-11-13-19(26)15-22(18)28)24(31)14-12-17-7-3-6-10-21(17)27/h3,6-7,10-11,13,15,20,23H,2,4-5,8-9,12,14,16H2,1H3,(H,29,32).
What are the key properties of 2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide?
2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide has a molecular weight of 495.88 g/mol, XLogP of 6.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide is sourced from PubChem (CID 132618808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).