2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide

C12H7ClF2N2O — CID 600362

IUPAC2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C12H7ClF2N2O/c13-9-5-11(15)10(14)4-8(9)12(18)17-7-2-1-3-16-6-7/h1-6H,(H,17,18)
InChIKeyAFSAUZSFNXGFQJ-UHFFFAOYSA-N
MW268.65 g/mol
LogP3.27
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide

2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide (PubChem CID 600362) has the molecular formula C12H7ClF2N2O and a molecular weight of 268.65 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide
PubChem CID600362
Molecular FormulaC12H7ClF2N2O
Molecular Weight268.65 g/mol
Exact Mass268.02
IUPAC Name2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C12H7ClF2N2O/c13-9-5-11(15)10(14)4-8(9)12(18)17-7-2-1-3-16-6-7/h1-6H,(H,17,18)
InChIKeyAFSAUZSFNXGFQJ-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide (CID 600362) is 2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide?
The InChIKey is AFSAUZSFNXGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O/c13-9-5-11(15)10(14)4-8(9)12(18)17-7-2-1-3-16-6-7/h1-6H,(H,17,18).
What are the key properties of 2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide?
2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide has a molecular weight of 268.65 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 600362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).