3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide

C13H11ClN2O2 — CID 106936060

IUPAC3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(O)c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H11ClN2O2/c1-16(10-4-6-15-7-5-10)13(18)9-2-3-12(17)11(14)8-9/h2-8,17H,1H3
InChIKeyRTQJNECEZACSSM-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.72
Rot. Bonds2

About 3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide

3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide (PubChem CID 106936060) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
PubChem CID106936060
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(O)c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H11ClN2O2/c1-16(10-4-6-15-7-5-10)13(18)9-2-3-12(17)11(14)8-9/h2-8,17H,1H3
InChIKeyRTQJNECEZACSSM-UHFFFAOYSA-N
XLogP2.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide
CID 106934877
N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 61357841
N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 176647563
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
5-fluoro-2-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936071
3-bromo-4-methoxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106935938
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934917
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
6-amino-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106937214
4-(ethylamino)-N,3-dimethyl-N-pyridin-4-ylbenzamide
CID 106937157
N-methyl-2-oxo-N-pyridin-4-yl-1,3-dihydroindole-6-carboxamide
CID 106936749

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide (CID 106936060) is 3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide is CN(C(=O)c1ccc(O)c(Cl)c1)c1ccncc1.
What is the InChIKey of 3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide?
The InChIKey is RTQJNECEZACSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-16(10-4-6-15-7-5-10)13(18)9-2-3-12(17)11(14)8-9/h2-8,17H,1H3.
What are the key properties of 3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide?
3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide has a molecular weight of 262.70 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 106936060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).