N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide

C14H12ClNO3 — CID 82829516

IUPACN-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C14H12ClNO3/c1-8-10(3-2-4-12(8)17)14(19)16-9-5-6-11(15)13(18)7-9/h2-7,17-18H,1H3,(H,16,19)
InChIKeyGSSNEXOWLNQCSG-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.31
Rot. Bonds2

About N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide

N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide (PubChem CID 82829516) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
PubChem CID82829516
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC NameN-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C14H12ClNO3/c1-8-10(3-2-4-12(8)17)14(19)16-9-5-6-11(15)13(18)7-9/h2-7,17-18H,1H3,(H,16,19)
InChIKeyGSSNEXOWLNQCSG-UHFFFAOYSA-N
XLogP3.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 107095827
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
N-(4-acetamidophenyl)-3-hydroxy-2-methylbenzamide
CID 82781425
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
N-(4-chloro-3-hydroxyphenyl)-2,4-dimethylbenzamide
CID 64788271
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82787554
N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide
CID 82829825
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide (CID 82829516) is N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)Nc1ccc(Cl)c(O)c1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is GSSNEXOWLNQCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-10(3-2-4-12(8)17)14(19)16-9-5-6-11(15)13(18)7-9/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide?
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 277.71 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82829516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).