2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide

C18H17ClFNO — CID 110445807

IUPAC2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide
SMILESO=C(NC1(c2ccccc2)CCCC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H17ClFNO/c19-14-9-6-10-15(20)16(14)17(22)21-18(11-4-5-12-18)13-7-2-1-3-8-13/h1-3,6-10H,4-5,11-12H2,(H,21,22)
InChIKeyCGEJTXFDTXUCQG-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.68
Rot. Bonds3

About 2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide

2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide (PubChem CID 110445807) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide
PubChem CID110445807
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide
SMILESO=C(NC1(c2ccccc2)CCCC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H17ClFNO/c19-14-9-6-10-15(20)16(14)17(22)21-18(11-4-5-12-18)13-7-2-1-3-8-13/h1-3,6-10H,4-5,11-12H2,(H,21,22)
InChIKeyCGEJTXFDTXUCQG-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
CID 110445814
2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 91837557
1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43163129
2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide
CID 82546637
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
CID 115267344
2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 114758157
1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
CID 113216996
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 110466935
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide (CID 110445807) is 2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide is O=C(NC1(c2ccccc2)CCCC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide?
The InChIKey is CGEJTXFDTXUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-14-9-6-10-15(20)16(14)17(22)21-18(11-4-5-12-18)13-7-2-1-3-8-13/h1-3,6-10H,4-5,11-12H2,(H,21,22).
What are the key properties of 2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide?
2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide has a molecular weight of 317.79 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide is sourced from PubChem (CID 110445807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).