N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide

C11H6ClF2N3O — CID 116798586

IUPACN-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
SMILESO=C(Nc1ccnc(Cl)n1)c1ccc(F)cc1F
InChIInChI=1S/C11H6ClF2N3O/c12-11-15-4-3-9(17-11)16-10(18)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16,17,18)
InChIKeyDJNRKMGUXIEFGQ-UHFFFAOYSA-N
MW269.64 g/mol
LogP2.66
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide

N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide (PubChem CID 116798586) has the molecular formula C11H6ClF2N3O and a molecular weight of 269.64 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
PubChem CID116798586
Molecular FormulaC11H6ClF2N3O
Molecular Weight269.64 g/mol
Exact Mass269.02
IUPAC NameN-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
SMILESO=C(Nc1ccnc(Cl)n1)c1ccc(F)cc1F
InChIInChI=1S/C11H6ClF2N3O/c12-11-15-4-3-9(17-11)16-10(18)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16,17,18)
InChIKeyDJNRKMGUXIEFGQ-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.64
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide 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

4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide
CID 116795150
2-[(2-chloropyrimidin-4-yl)carbamoyl]-4,5-difluorobenzoic acid
CID 116794791
N-(2-chloropyrimidin-4-yl)-2-iodobenzamide
CID 116795168
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949
2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821042
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide
CID 46107029
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide (CID 116798586) is N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide is O=C(Nc1ccnc(Cl)n1)c1ccc(F)cc1F.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide?
The InChIKey is DJNRKMGUXIEFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2N3O/c12-11-15-4-3-9(17-11)16-10(18)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16,17,18).
What are the key properties of N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide?
N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide has a molecular weight of 269.64 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide is sourced from PubChem (CID 116798586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).