4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide

C15H16N2O3 — CID 28614468

IUPAC4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(O)c(CNc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C15H16N2O3/c1-20-13-6-7-14(18)11(8-13)9-17-12-4-2-10(3-5-12)15(16)19/h2-8,17-18H,9H2,1H3,(H2,16,19)
InChIKeyONLOCBROCYSXAF-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.11
Rot. Bonds5

About 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide

4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide (PubChem CID 28614468) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide
PubChem CID28614468
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(O)c(CNc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C15H16N2O3/c1-20-13-6-7-14(18)11(8-13)9-17-12-4-2-10(3-5-12)15(16)19/h2-8,17-18H,9H2,1H3,(H2,16,19)
InChIKeyONLOCBROCYSXAF-UHFFFAOYSA-N
XLogP2.11
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea
CID 43744824
4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide
CID 60874735
4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
CID 61262129
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-N-methylbenzamide
CID 61263985
1-[2-amino-5-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]-3,3-dimethylbutan-1-one
CID 70513186
2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
CID 107678999
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130
methyl 4-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326548
4-methoxy-2-[(3-nitroanilino)methyl]phenol
CID 43717902
3-[(2,4-dimethoxyphenyl)methylamino]benzamide
CID 28650467
2-chloro-4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 61261202

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide?
The IUPAC name of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide (CID 28614468) is 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide?
The canonical SMILES for 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide is COc1ccc(O)c(CNc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide?
The InChIKey is ONLOCBROCYSXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-13-6-7-14(18)11(8-13)9-17-12-4-2-10(3-5-12)15(16)19/h2-8,17-18H,9H2,1H3,(H2,16,19).
What are the key properties of 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide?
4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide has a molecular weight of 272.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 28614468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).