1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide

C17H22ClNO2 — CID 115362498

IUPAC1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClNO2/c18-14-5-3-13(4-6-14)17(9-10-17)15(21)19-11-16(12-20)7-1-2-8-16/h3-6,20H,1-2,7-12H2,(H,19,21)
InChIKeyGCTRNRAAOTZPMD-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.04
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide (PubChem CID 115362498) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
PubChem CID115362498
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClNO2/c18-14-5-3-13(4-6-14)17(9-10-17)15(21)19-11-16(12-20)7-1-2-8-16/h3-6,20H,1-2,7-12H2,(H,19,21)
InChIKeyGCTRNRAAOTZPMD-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclopropane-1-carboxamide
CID 80711321
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
1-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369485
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660
N-but-3-ynyl-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 90537906
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid
CID 65219700

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide (CID 115362498) is 1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide is O=C(NCC1(CO)CCCC1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is GCTRNRAAOTZPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c18-14-5-3-13(4-6-14)17(9-10-17)15(21)19-11-16(12-20)7-1-2-8-16/h3-6,20H,1-2,7-12H2,(H,19,21).
What are the key properties of 1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 307.82 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115362498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).