N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide

C15H14ClNO3 — CID 63937740

IUPACN-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H14ClNO3/c1-9-3-6-14(20-2)11(7-9)15(19)17-10-4-5-13(18)12(16)8-10/h3-8,18H,1-2H3,(H,17,19)
InChIKeyDNMRWOSLAHVISM-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.61
Rot. Bonds3

About N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide

N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide (PubChem CID 63937740) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide
PubChem CID63937740
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H14ClNO3/c1-9-3-6-14(20-2)11(7-9)15(19)17-10-4-5-13(18)12(16)8-10/h3-8,18H,1-2H3,(H,17,19)
InChIKeyDNMRWOSLAHVISM-UHFFFAOYSA-N
XLogP3.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-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

N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-5-methylbenzamide
CID 43381005
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
2-hydroxy-N-(4-methoxy-3-methylphenyl)-4-methylbenzamide
CID 47317808
2-methoxy-5-methyl-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 9257170
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
5-chloro-2-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 47317877
N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide
CID 114299336
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
CID 107679870
2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide (CID 63937740) is N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide?
The InChIKey is DNMRWOSLAHVISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9-3-6-14(20-2)11(7-9)15(19)17-10-4-5-13(18)12(16)8-10/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide?
N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide has a molecular weight of 291.73 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 63937740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).