3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide

C13H7ClFN3O — CID 81485911

IUPAC3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C13H7ClFN3O/c14-10-5-9(2-3-11(10)15)13(19)18-12-4-1-8(6-16)7-17-12/h1-5,7H,(H,17,18,19)
InChIKeyAQTJKNROXAMRJC-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.00
Rot. Bonds2

About 3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide

3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide (PubChem CID 81485911) has the molecular formula C13H7ClFN3O and a molecular weight of 275.67 g/mol. Its IUPAC name is 3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
PubChem CID81485911
Molecular FormulaC13H7ClFN3O
Molecular Weight275.67 g/mol
Exact Mass275.03
IUPAC Name3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C13H7ClFN3O/c14-10-5-9(2-3-11(10)15)13(19)18-12-4-1-8(6-16)7-17-12/h1-5,7H,(H,17,18,19)
InChIKeyAQTJKNROXAMRJC-UHFFFAOYSA-N
XLogP3.00
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
CID 107595855
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 62354122
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 64949685
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide
CID 115273471
N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 104535200
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide
CID 22601675
N-(5-cyano-2-pyridinyl)thiophene-3-carboxamide
CID 55209975

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide (CID 81485911) is 3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide is N#Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of 3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide?
The InChIKey is AQTJKNROXAMRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O/c14-10-5-9(2-3-11(10)15)13(19)18-12-4-1-8(6-16)7-17-12/h1-5,7H,(H,17,18,19).
What are the key properties of 3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide?
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide has a molecular weight of 275.67 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide is sourced from PubChem (CID 81485911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).