4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide

C12H10ClN3O2 — CID 6481030

IUPAC4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(Cl)cc2O)n1
InChIInChI=1S/C12H10ClN3O2/c1-7-4-5-14-12(15-7)16-11(18)9-3-2-8(13)6-10(9)17/h2-6,17H,1H3,(H,14,15,16,18)
InChIKeyPTEFZPBZTCXHTN-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.40
Rot. Bonds2

About 4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide

4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide (PubChem CID 6481030) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
PubChem CID6481030
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(Cl)cc2O)n1
InChIInChI=1S/C12H10ClN3O2/c1-7-4-5-14-12(15-7)16-11(18)9-3-2-8(13)6-10(9)17/h2-6,17H,1H3,(H,14,15,16,18)
InChIKeyPTEFZPBZTCXHTN-UHFFFAOYSA-N
XLogP2.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide
CID 114052523
2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
CID 132962288
N-(4-chloro-2-pyridinyl)-2-hydroxy-4-methylbenzamide
CID 115883719
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
4-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488539
1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
CID 7598099
N-(6-amino-3-pyridinyl)-4-chloro-2-hydroxybenzamide
CID 55132975
(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 1094229
2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052927
5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600816
4-chloro-2-hydroxy-N-quinolin-6-ylbenzamide
CID 60783622
2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
CID 114052237

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide (CID 6481030) is 4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide is Cc1ccnc(NC(=O)c2ccc(Cl)cc2O)n1.
What is the InChIKey of 4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide?
The InChIKey is PTEFZPBZTCXHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7-4-5-14-12(15-7)16-11(18)9-3-2-8(13)6-10(9)17/h2-6,17H,1H3,(H,14,15,16,18).
What are the key properties of 4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide?
4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide has a molecular weight of 263.68 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 6481030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).