2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide

C15H16N2O3 — CID 115412681

IUPAC2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2CO)c(N)c1
InChIInChI=1S/C15H16N2O3/c1-20-11-6-7-12(13(16)8-11)15(19)17-14-5-3-2-4-10(14)9-18/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyMZKRJULCLCVPDC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.02
Rot. Bonds4

About 2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide

2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide (PubChem CID 115412681) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide
PubChem CID115412681
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2CO)c(N)c1
InChIInChI=1S/C15H16N2O3/c1-20-11-6-7-12(13(16)8-11)15(19)17-14-5-3-2-4-10(14)9-18/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyMZKRJULCLCVPDC-UHFFFAOYSA-N
XLogP2.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-[2-(methoxymethyl)phenyl]benzamide
CID 115412626
2-amino-4-methoxy-N-naphthalen-1-ylbenzamide
CID 82546437
2-amino-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 80503097
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114309582
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
2-amino-N-[2-(2-methoxyethyl)phenyl]-4-methylbenzamide
CID 102907951
2-amino-N-(2,5-dibromophenyl)-4-methoxybenzamide
CID 115412703
2-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 80504227
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-N-(2,6-dichlorophenyl)-4-methoxybenzamide
CID 110451620
N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
CID 82546305

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide (CID 115412681) is 2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2CO)c(N)c1.
What is the InChIKey of 2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide?
The InChIKey is MZKRJULCLCVPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-11-6-7-12(13(16)8-11)15(19)17-14-5-3-2-4-10(14)9-18/h2-8,18H,9,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide?
2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide has a molecular weight of 272.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 115412681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).