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

C15H14ClNO2 — CID 107097234

IUPAC3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2C)ccc1O
InChIInChI=1S/C15H14ClNO2/c1-9-8-11(6-7-14(9)18)17-15(19)12-4-3-5-13(16)10(12)2/h3-8,18H,1-2H3,(H,17,19)
InChIKeyTUPLROHNBGHJJT-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.91
Rot. Bonds2

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

3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide (PubChem CID 107097234) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
PubChem CID107097234
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2C)ccc1O
InChIInChI=1S/C15H14ClNO2/c1-9-8-11(6-7-14(9)18)17-15(19)12-4-3-5-13(16)10(12)2/h3-8,18H,1-2H3,(H,17,19)
InChIKeyTUPLROHNBGHJJT-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide 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

3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 107095827
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516
N-(3-aminophenyl)-3-chloro-2-methylbenzamide
CID 110484087
2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103890666
N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide
CID 103828162
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107096027
N-(4-amino-3-chlorophenyl)-2,3-dimethylbenzamide
CID 82861424
3-chloro-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107098171

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide (CID 107097234) is 3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide is Cc1cc(NC(=O)c2cccc(Cl)c2C)ccc1O.
What is the InChIKey of 3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide?
The InChIKey is TUPLROHNBGHJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-8-11(6-7-14(9)18)17-15(19)12-4-3-5-13(16)10(12)2/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of 3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide?
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide has a molecular weight of 275.74 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 107097234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).