3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide

C15H16N2O2 — CID 66965766

IUPAC3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(O)c(N)c2)cc1C
InChIInChI=1S/C15H16N2O2/c1-9-3-5-12(7-10(9)2)17-15(19)11-4-6-14(18)13(16)8-11/h3-8,18H,16H2,1-2H3,(H,17,19)
InChIKeyUUXJYVCEVVECGO-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.84
Rot. Bonds2

About 3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide

3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide (PubChem CID 66965766) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
PubChem CID66965766
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(O)c(N)c2)cc1C
InChIInChI=1S/C15H16N2O2/c1-9-3-5-12(7-10(9)2)17-15(19)11-4-6-14(18)13(16)8-11/h3-8,18H,16H2,1-2H3,(H,17,19)
InChIKeyUUXJYVCEVVECGO-UHFFFAOYSA-N
XLogP2.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide
CID 142370763
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107672026
3-amino-N-(3-amino-4-hydroxyphenyl)-4-(2-hydroxyphenyl)benzamide
CID 118519914
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
4-amino-N-(3-hydroxyphenyl)-3-methylbenzamide
CID 61167676

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide?
The IUPAC name of 3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide (CID 66965766) is 3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide?
The canonical SMILES for 3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide is Cc1ccc(NC(=O)c2ccc(O)c(N)c2)cc1C.
What is the InChIKey of 3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide?
The InChIKey is UUXJYVCEVVECGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-3-5-12(7-10(9)2)17-15(19)11-4-6-14(18)13(16)8-11/h3-8,18H,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide?
3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide is sourced from PubChem (CID 66965766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).