3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide

C17H12ClFN2O — CID 146090668

IUPAC3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2(c3ccccc3F)CC2)cc1Cl
InChIInChI=1S/C17H12ClFN2O/c18-14-9-11(5-6-12(14)10-20)16(22)21-17(7-8-17)13-3-1-2-4-15(13)19/h1-6,9H,7-8H2,(H,21,22)
InChIKeyHLZMKMSOEMWEJO-UHFFFAOYSA-N
MW314.75 g/mol
LogP3.77
Rot. Bonds3

About 3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide

3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide (PubChem CID 146090668) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide
PubChem CID146090668
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2(c3ccccc3F)CC2)cc1Cl
InChIInChI=1S/C17H12ClFN2O/c18-14-9-11(5-6-12(14)10-20)16(22)21-17(7-8-17)13-3-1-2-4-15(13)19/h1-6,9H,7-8H2,(H,21,22)
InChIKeyHLZMKMSOEMWEJO-UHFFFAOYSA-N
XLogP3.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide
CID 146092931
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
N-[1-(2-fluorophenyl)cyclopropyl]-6-methylpyridine-2-carboxamide
CID 110462508
2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110445767
1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110469627
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
CID 62679836
3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide
CID 75392620
3-chloro-4-cyanobenzamide;3-[1-(2-chlorophenyl)cyclopropyl]-2-oxopropanoic acid
CID 68846032
N-[1-(2-fluorophenyl)cyclopropyl]cyclohexanecarboxamide
CID 110482201
N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide
CID 110480254

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide?
The IUPAC name of 3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide (CID 146090668) is 3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide.
What is the SMILES notation for 3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide?
The canonical SMILES for 3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide is N#Cc1ccc(C(=O)NC2(c3ccccc3F)CC2)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide?
The InChIKey is HLZMKMSOEMWEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-14-9-11(5-6-12(14)10-20)16(22)21-17(7-8-17)13-3-1-2-4-15(13)19/h1-6,9H,7-8H2,(H,21,22).
What are the key properties of 3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide?
3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide has a molecular weight of 314.75 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide is sourced from PubChem (CID 146090668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).