2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide

C14H8ClFN2O — CID 79035948

IUPAC2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(F)c2Cl)c1
InChIInChI=1S/C14H8ClFN2O/c15-13-11(5-2-6-12(13)16)14(19)18-10-4-1-3-9(7-10)8-17/h1-7H,(H,18,19)
InChIKeyYPPRLFGWESTXPB-UHFFFAOYSA-N
MW274.68 g/mol
LogP3.60
Rot. Bonds2

About 2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide

2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide (PubChem CID 79035948) has the molecular formula C14H8ClFN2O and a molecular weight of 274.68 g/mol. Its IUPAC name is 2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
PubChem CID79035948
Molecular FormulaC14H8ClFN2O
Molecular Weight274.68 g/mol
Exact Mass274.03
IUPAC Name2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(F)c2Cl)c1
InChIInChI=1S/C14H8ClFN2O/c15-13-11(5-2-6-12(13)16)14(19)18-10-4-1-3-9(7-10)8-17/h1-7H,(H,18,19)
InChIKeyYPPRLFGWESTXPB-UHFFFAOYSA-N
XLogP3.60
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-cyanophenyl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101113
5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
CID 107183181
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 79039798
N-(3-cyanophenyl)-2-hydrazinylbenzamide
CID 62248854
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
2-chloro-N-(2-cyanophenyl)-3-fluorobenzamide
CID 79044792
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide?
The IUPAC name of 2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide (CID 79035948) is 2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide is N#Cc1cccc(NC(=O)c2cccc(F)c2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide?
The InChIKey is YPPRLFGWESTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O/c15-13-11(5-2-6-12(13)16)14(19)18-10-4-1-3-9(7-10)8-17/h1-7H,(H,18,19).
What are the key properties of 2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide?
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide has a molecular weight of 274.68 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide is sourced from PubChem (CID 79035948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).