N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide

C12H13ClFNO — CID 845055

IUPACN-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCCC1
InChIInChI=1S/C12H13ClFNO/c13-10-7-9(5-6-11(10)14)15-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16)
InChIKeyCCDARWAEEWYPEK-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.61
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide

N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide (PubChem CID 845055) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
PubChem CID845055
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC NameN-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCCC1
InChIInChI=1S/C12H13ClFNO/c13-10-7-9(5-6-11(10)14)15-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16)
InChIKeyCCDARWAEEWYPEK-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide
CID 166607238
N-[4-(3-chloro-4-fluoroanilino)phenyl]oxane-4-carboxamide
CID 112987167
N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71938113
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
tert-butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 84555141
N-(3-chloro-4-fluorophenyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 111148135
(3S)-N-(3-chloro-4-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447116
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide (CID 845055) is N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide?
The InChIKey is CCDARWAEEWYPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-10-7-9(5-6-11(10)14)15-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide?
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide has a molecular weight of 241.69 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide is sourced from PubChem (CID 845055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).