N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide

C17H23ClN2O — CID 119749968

IUPACN-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCCC1)C1CCNC1
InChIInChI=1S/C17H23ClN2O/c18-15-5-3-14(4-6-15)17(8-1-2-9-17)12-20-16(21)13-7-10-19-11-13/h3-6,13,19H,1-2,7-12H2,(H,20,21)
InChIKeyWEAJBQGNGIYPQP-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.88
Rot. Bonds4

About N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide

N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119749968) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
PubChem CID119749968
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCCC1)C1CCNC1
InChIInChI=1S/C17H23ClN2O/c18-15-5-3-14(4-6-15)17(8-1-2-9-17)12-20-16(21)13-7-10-19-11-13/h3-6,13,19H,1-2,7-12H2,(H,20,21)
InChIKeyWEAJBQGNGIYPQP-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699128
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119293577
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119293576
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119769970
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
CID 119301112
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303720
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60573636

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide (CID 119749968) is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CCCC1)C1CCNC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is WEAJBQGNGIYPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-15-5-3-14(4-6-15)17(8-1-2-9-17)12-20-16(21)13-7-10-19-11-13/h3-6,13,19H,1-2,7-12H2,(H,20,21).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide?
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 306.84 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119749968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).