4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide

C14H9ClFN3O — CID 154848480

IUPAC4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2F)ccc1C#N
InChIInChI=1S/C14H9ClFN3O/c1-8-9(7-17)2-5-13(18-8)19-14(20)11-4-3-10(15)6-12(11)16/h2-6H,1H3,(H,18,19,20)
InChIKeyIDPVOOVGHHXUMS-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.31
Rot. Bonds2

About 4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide

4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide (PubChem CID 154848480) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide
PubChem CID154848480
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2F)ccc1C#N
InChIInChI=1S/C14H9ClFN3O/c1-8-9(7-17)2-5-13(18-8)19-14(20)11-4-3-10(15)6-12(11)16/h2-6H,1H3,(H,18,19,20)
InChIKeyIDPVOOVGHHXUMS-UHFFFAOYSA-N
XLogP3.31
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
6-[(6-chloroquinolin-2-yl)amino]-2-methylpyridine-3-carbonitrile
CID 138556714
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
CID 19631637
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
4-chloro-N'-(4-chlorobenzoyl)-2-fluorobenzohydrazide
CID 9075928
4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
N-(6-cyano-5-fluoro-2-pyridinyl)acetamide
CID 55252832
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
dimethyl 5-[(4-chloro-2-fluorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 26586202

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide (CID 154848480) is 4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide is Cc1nc(NC(=O)c2ccc(Cl)cc2F)ccc1C#N.
What is the InChIKey of 4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide?
The InChIKey is IDPVOOVGHHXUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c1-8-9(7-17)2-5-13(18-8)19-14(20)11-4-3-10(15)6-12(11)16/h2-6H,1H3,(H,18,19,20).
What are the key properties of 4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide?
4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide has a molecular weight of 289.70 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-cyano-6-methyl-2-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 154848480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).