1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide

C21H27ClN2O3 — CID 110625694

IUPAC1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide
SMILESO=C(CCC(=O)N1CCCC1C(=O)NC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C21H27ClN2O3/c22-16-7-4-6-15(14-16)19(25)11-12-20(26)24-13-5-10-18(24)21(27)23-17-8-2-1-3-9-17/h4,6-7,14,17-18H,1-3,5,8-13H2,(H,23,27)
InChIKeyAXJZDRYVISTCSL-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.74
Rot. Bonds6

About 1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide

1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide (PubChem CID 110625694) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide
PubChem CID110625694
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide
SMILESO=C(CCC(=O)N1CCCC1C(=O)NC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C21H27ClN2O3/c22-16-7-4-6-15(14-16)19(25)11-12-20(26)24-13-5-10-18(24)21(27)23-17-8-2-1-3-9-17/h4,6-7,14,17-18H,1-3,5,8-13H2,(H,23,27)
InChIKeyAXJZDRYVISTCSL-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
(2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 24717437
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105589
(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 110305765
(2S)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 51071444
(2S)-N-[(3-chlorophenyl)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CID 45141361
1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54875325
(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 78920198
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide (CID 110625694) is 1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide is O=C(CCC(=O)N1CCCC1C(=O)NC1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide?
The InChIKey is AXJZDRYVISTCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c22-16-7-4-6-15(14-16)19(25)11-12-20(26)24-13-5-10-18(24)21(27)23-17-8-2-1-3-9-17/h4,6-7,14,17-18H,1-3,5,8-13H2,(H,23,27).
What are the key properties of 1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide?
1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide has a molecular weight of 390.91 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110625694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).