1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide

C24H27ClN2O2 — CID 39410534

IUPAC1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C1CCCN1Cc1ccccc1CNC(=O)C1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C24H27ClN2O2/c25-21-10-5-9-20(15-21)24(12-3-4-13-24)23(29)26-16-18-7-1-2-8-19(18)17-27-14-6-11-22(27)28/h1-2,5,7-10,15H,3-4,6,11-14,16-17H2,(H,26,29)
InChIKeyFTHCCERKFPYLHD-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.59
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide

1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 39410534) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID39410534
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C1CCCN1Cc1ccccc1CNC(=O)C1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C24H27ClN2O2/c25-21-10-5-9-20(15-21)24(12-3-4-13-24)23(29)26-16-18-7-1-2-8-19(18)17-27-14-6-11-22(27)28/h1-2,5,7-10,15H,3-4,6,11-14,16-17H2,(H,26,29)
InChIKeyFTHCCERKFPYLHD-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylcyclopentane-1-carboxamide
CID 56922153
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438164
2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 112821181
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
2-methyl-1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
CID 111852595
2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974895
2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide
CID 47020894
1-(2-nitrophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38885126
1-[(3-chlorophenyl)methyl]-2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111176415

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide (CID 39410534) is 1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide is O=C1CCCN1Cc1ccccc1CNC(=O)C1(c2cccc(Cl)c2)CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is FTHCCERKFPYLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c25-21-10-5-9-20(15-21)24(12-3-4-13-24)23(29)26-16-18-7-1-2-8-19(18)17-27-14-6-11-22(27)28/h1-2,5,7-10,15H,3-4,6,11-14,16-17H2,(H,26,29).
What are the key properties of 1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 39410534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).