N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide

C12H9ClFN3O2 — CID 114053411

IUPACN-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCc1cc(Cl)nc(NC(=O)c2c(O)cccc2F)n1
InChIInChI=1S/C12H9ClFN3O2/c1-6-5-9(13)16-12(15-6)17-11(19)10-7(14)3-2-4-8(10)18/h2-5,18H,1H3,(H,15,16,17,19)
InChIKeyVDSBCOSVNHHYOO-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.54
Rot. Bonds2

About N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide

N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide (PubChem CID 114053411) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide
PubChem CID114053411
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC NameN-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCc1cc(Cl)nc(NC(=O)c2c(O)cccc2F)n1
InChIInChI=1S/C12H9ClFN3O2/c1-6-5-9(13)16-12(15-6)17-11(19)10-7(14)3-2-4-8(10)18/h2-5,18H,1H3,(H,15,16,17,19)
InChIKeyVDSBCOSVNHHYOO-UHFFFAOYSA-N
XLogP2.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide 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

N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
CID 3309967
N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107688990
3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052917
3-(2-chloro-6-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 5223953
N-(2,6-dichlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015267
2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052927
2-fluoro-6-hydroxy-N-(3-hydroxy-2-methylphenyl)benzamide
CID 107015430
N-(2,5-difluoro-4-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107015415
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
CID 114053375
N-(3-chloro-5-fluorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107366833
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
2-fluoro-6-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 104917973

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide (CID 114053411) is N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide is Cc1cc(Cl)nc(NC(=O)c2c(O)cccc2F)n1.
What is the InChIKey of N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is VDSBCOSVNHHYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-6-5-9(13)16-12(15-6)17-11(19)10-7(14)3-2-4-8(10)18/h2-5,18H,1H3,(H,15,16,17,19).
What are the key properties of N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide?
N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 281.67 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 114053411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).