3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide

C15H16N2O2 — CID 29262487

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

About 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide

3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide (PubChem CID 29262487) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
PubChem CID29262487
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(O)c(NC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C15H16N2O2/c1-9-3-6-14(18)13(7-9)17-15(19)11-5-4-10(2)12(16)8-11/h3-8,18H,16H2,1-2H3,(H,17,19)
InChIKeyLNYKCLXLABJJPM-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-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 110486424
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
CID 75465271
4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
CID 107624052
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 28881843
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-iodo-4-methylbenzamide
CID 5121233
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
5-[[3,5-bis[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]methyl]-1-N,3-N-bis(2-hydroxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 16753383
N-(2-acetylphenyl)-3-amino-4-methylbenzamide
CID 110488218
N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 104814446
4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide
CID 70334005
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide (CID 29262487) is 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide is Cc1ccc(O)c(NC(=O)c2ccc(C)c(N)c2)c1.
What is the InChIKey of 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide?
The InChIKey is LNYKCLXLABJJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-3-6-14(18)13(7-9)17-15(19)11-5-4-10(2)12(16)8-11/h3-8,18H,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide?
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide 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-(2-hydroxy-5-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 29262487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).