2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide

C24H29ClN2O2 — CID 133247823

IUPAC2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)C(Cc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C24H29ClN2O2/c1-2-23(28)27(17-19-12-6-9-15-21(19)25)22(16-18-10-4-3-5-11-18)24(29)26-20-13-7-8-14-20/h3-6,9-12,15,20,22H,2,7-8,13-14,16-17H2,1H3,(H,26,29)
InChIKeyCEOOWRAQZBNKBT-UHFFFAOYSA-N
MW412.96 g/mol
LogP4.75
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide

2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide (PubChem CID 133247823) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide
PubChem CID133247823
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)C(Cc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C24H29ClN2O2/c1-2-23(28)27(17-19-12-6-9-15-21(19)25)22(16-18-10-4-3-5-11-18)24(29)26-20-13-7-8-14-20/h3-6,9-12,15,20,22H,2,7-8,13-14,16-17H2,1H3,(H,26,29)
InChIKeyCEOOWRAQZBNKBT-UHFFFAOYSA-N
XLogP4.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide
CID 133177214
2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247793
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide
CID 132761965
(2S)-2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100594261
2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247502
2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247773
2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247720
(2R)-2-[(2-chlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100593281
2-[(2-chlorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247520
2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133177164
(2S)-2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100590322
(2R)-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100594100

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide (CID 133247823) is 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide is CCC(=O)N(Cc1ccccc1Cl)C(Cc1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide?
The InChIKey is CEOOWRAQZBNKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-2-23(28)27(17-19-12-6-9-15-21(19)25)22(16-18-10-4-3-5-11-18)24(29)26-20-13-7-8-14-20/h3-6,9-12,15,20,22H,2,7-8,13-14,16-17H2,1H3,(H,26,29).
What are the key properties of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide?
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide has a molecular weight of 412.96 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide is sourced from PubChem (CID 133247823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).