3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide

C15H14N2O3 — CID 30828617

IUPAC3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(N)=O)c2)c(O)c1
InChIInChI=1S/C15H14N2O3/c1-9-5-6-12(13(18)7-9)17-15(20)11-4-2-3-10(8-11)14(16)19/h2-8,18H,1H3,(H2,16,19)(H,17,20)
InChIKeyVROMLISHRJLDMN-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.05
Rot. Bonds3

About 3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide

3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 30828617) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID30828617
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(N)=O)c2)c(O)c1
InChIInChI=1S/C15H14N2O3/c1-9-5-6-12(13(18)7-9)17-15(20)11-4-2-3-10(8-11)14(16)19/h2-8,18H,1H3,(H2,16,19)(H,17,20)
InChIKeyVROMLISHRJLDMN-UHFFFAOYSA-N
XLogP2.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide
CID 70334005
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
CID 75465271
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-methylbenzamide
CID 884861
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 9495518
3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 9087267
N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108530456
2-hydroxy-N-(2-hydroxy-4-methylphenyl)-6-oxo-1H-pyridine-4-carboxamide
CID 61269753
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide
CID 139492461
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide (CID 30828617) is 3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide is Cc1ccc(NC(=O)c2cccc(C(N)=O)c2)c(O)c1.
What is the InChIKey of 3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is VROMLISHRJLDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-5-6-12(13(18)7-9)17-15(20)11-4-2-3-10(8-11)14(16)19/h2-8,18H,1H3,(H2,16,19)(H,17,20).
What are the key properties of 3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide?
3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 30828617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).