2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide

C12H8ClF2N3O — CID 2392243

IUPAC2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(F)c(F)cc2Cl)n1
InChIInChI=1S/C12H8ClF2N3O/c1-6-2-3-16-12(17-6)18-11(19)7-4-9(14)10(15)5-8(7)13/h2-5H,1H3,(H,16,17,18,19)
InChIKeyVNPKNUYNQGFDRW-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.97
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide

2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide (PubChem CID 2392243) has the molecular formula C12H8ClF2N3O and a molecular weight of 283.67 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide
PubChem CID2392243
Molecular FormulaC12H8ClF2N3O
Molecular Weight283.67 g/mol
Exact Mass283.03
IUPAC Name2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2cc(F)c(F)cc2Cl)n1
InChIInChI=1S/C12H8ClF2N3O/c1-6-2-3-16-12(17-6)18-11(19)7-4-9(14)10(15)5-8(7)13/h2-5H,1H3,(H,16,17,18,19)
InChIKeyVNPKNUYNQGFDRW-UHFFFAOYSA-N
XLogP2.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide (CID 2392243) is 2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide is Cc1ccnc(NC(=O)c2cc(F)c(F)cc2Cl)n1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide?
The InChIKey is VNPKNUYNQGFDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O/c1-6-2-3-16-12(17-6)18-11(19)7-4-9(14)10(15)5-8(7)13/h2-5H,1H3,(H,16,17,18,19).
What are the key properties of 2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide?
2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide has a molecular weight of 283.67 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(4-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 2392243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).