2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide

C15H10ClFN2O — CID 79035918

IUPAC2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1cccc(F)c1Cl)c1cccc(C#N)c1
InChIInChI=1S/C15H10ClFN2O/c1-19(11-5-2-4-10(8-11)9-18)15(20)12-6-3-7-13(17)14(12)16/h2-8H,1H3
InChIKeyKOWBWFITBUGJEH-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.63
Rot. Bonds2

About 2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide

2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide (PubChem CID 79035918) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide
PubChem CID79035918
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1cccc(F)c1Cl)c1cccc(C#N)c1
InChIInChI=1S/C15H10ClFN2O/c1-19(11-5-2-4-10(8-11)9-18)15(20)12-6-3-7-13(17)14(12)16/h2-8H,1H3
InChIKeyKOWBWFITBUGJEH-UHFFFAOYSA-N
XLogP3.63
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107096775
2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
CID 62980898
N-(3-carbamothioylphenyl)-2-chloro-3-fluoro-N-methylbenzamide
CID 81453831
2-chloro-3-fluoro-N,N-dimethylbenzamide
CID 57234037
2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide
CID 84600498
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407994
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide?
The IUPAC name of 2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide (CID 79035918) is 2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide is CN(C(=O)c1cccc(F)c1Cl)c1cccc(C#N)c1.
What is the InChIKey of 2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide?
The InChIKey is KOWBWFITBUGJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c1-19(11-5-2-4-10(8-11)9-18)15(20)12-6-3-7-13(17)14(12)16/h2-8H,1H3.
What are the key properties of 2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide?
2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide has a molecular weight of 288.71 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 79035918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).