2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide

C14H9ClFN3O — CID 84600498

IUPAC2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1cccc(F)c1Cl)c1ncccc1C#N
InChIInChI=1S/C14H9ClFN3O/c1-19(13-9(8-17)4-3-7-18-13)14(20)10-5-2-6-11(16)12(10)15/h2-7H,1H3
InChIKeyCSJPAKXCVMQHMW-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.02
Rot. Bonds2

About 2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide

2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide (PubChem CID 84600498) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide
PubChem CID84600498
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1cccc(F)c1Cl)c1ncccc1C#N
InChIInChI=1S/C14H9ClFN3O/c1-19(13-9(8-17)4-3-7-18-13)14(20)10-5-2-6-11(16)12(10)15/h2-7H,1H3
InChIKeyCSJPAKXCVMQHMW-UHFFFAOYSA-N
XLogP3.02
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide?
The IUPAC name of 2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide (CID 84600498) is 2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide is CN(C(=O)c1cccc(F)c1Cl)c1ncccc1C#N.
What is the InChIKey of 2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide?
The InChIKey is CSJPAKXCVMQHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c1-19(13-9(8-17)4-3-7-18-13)14(20)10-5-2-6-11(16)12(10)15/h2-7H,1H3.
What are the key properties of 2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide?
2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide has a molecular weight of 289.70 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyano-2-pyridinyl)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 84600498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).