4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide

C15H16N2O2 — CID 14842755

IUPAC4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide
SMILESCc1cccc(CO)c1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H16N2O2/c1-10-3-2-4-12(9-18)14(10)17-15(19)11-5-7-13(16)8-6-11/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyGEDZBKBQRIDEAL-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.32
Rot. Bonds3

About 4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide

4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide (PubChem CID 14842755) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide
PubChem CID14842755
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide
SMILESCc1cccc(CO)c1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H16N2O2/c1-10-3-2-4-12(9-18)14(10)17-15(19)11-5-7-13(16)8-6-11/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyGEDZBKBQRIDEAL-UHFFFAOYSA-N
XLogP2.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717
6-amino-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 62153379
3-amino-4-bromo-N-(2-ethyl-6-methylphenyl)benzamide
CID 61090453
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 23971950
4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 82179459
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide?
The IUPAC name of 4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide (CID 14842755) is 4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide is Cc1cccc(CO)c1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide?
The InChIKey is GEDZBKBQRIDEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-3-2-4-12(9-18)14(10)17-15(19)11-5-7-13(16)8-6-11/h2-8,18H,9,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide?
4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide has a molecular weight of 256.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide is sourced from PubChem (CID 14842755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).