1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide

C24H29ClN2O — CID 134799361

IUPAC1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide
SMILESCc1ccc(-c2cccc(CN3CCCC3C(=O)NC3CCCC3)c2)cc1Cl
InChIInChI=1S/C24H29ClN2O/c1-17-11-12-20(15-22(17)25)19-7-4-6-18(14-19)16-27-13-5-10-23(27)24(28)26-21-8-2-3-9-21/h4,6-7,11-12,14-15,21,23H,2-3,5,8-10,13,16H2,1H3,(H,26,28)
InChIKeyUHASCARBFYLZQS-UHFFFAOYSA-N
MW396.96 g/mol
LogP5.34
Rot. Bonds5

About 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide

1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide (PubChem CID 134799361) has the molecular formula C24H29ClN2O and a molecular weight of 396.96 g/mol. Its IUPAC name is 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide
PubChem CID134799361
Molecular FormulaC24H29ClN2O
Molecular Weight396.96 g/mol
Exact Mass396.20
IUPAC Name1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide
SMILESCc1ccc(-c2cccc(CN3CCCC3C(=O)NC3CCCC3)c2)cc1Cl
InChIInChI=1S/C24H29ClN2O/c1-17-11-12-20(15-22(17)25)19-7-4-6-18(14-19)16-27-13-5-10-23(27)24(28)26-21-8-2-3-9-21/h4,6-7,11-12,14-15,21,23H,2-3,5,8-10,13,16H2,1H3,(H,26,28)
InChIKeyUHASCARBFYLZQS-UHFFFAOYSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.96
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 134799026
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798064
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 134797326
N-cyclopropyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 47377026
(2S)-1-benzyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 97215907
N-(1,1-dioxothiolan-3-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110411792
methyl 4-[(1-benzylpyrrolidine-2-carbonyl)amino]piperidine-1-carboxylate
CID 51093260
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589
N-cyclopropyl-1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
CID 146124522
N-[(4-chlorophenyl)methyl]-1-[[3-(3-methoxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134800440
1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036442
N-methyl-1-[(3-pyridin-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 75438609

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide (CID 134799361) is 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide is Cc1ccc(-c2cccc(CN3CCCC3C(=O)NC3CCCC3)c2)cc1Cl.
What is the InChIKey of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The InChIKey is UHASCARBFYLZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O/c1-17-11-12-20(15-22(17)25)19-7-4-6-18(14-19)16-27-13-5-10-23(27)24(28)26-21-8-2-3-9-21/h4,6-7,11-12,14-15,21,23H,2-3,5,8-10,13,16H2,1H3,(H,26,28).
What are the key properties of 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide?
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide has a molecular weight of 396.96 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-cyclopentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134799361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).