4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide

C20H18N2O2 — CID 25155694

IUPAC4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C20H18N2O2/c21-13-14-6-8-16(9-7-14)20(24)22-18-12-17(10-11-19(18)23)15-4-2-1-3-5-15/h1-12,23H,13,21H2,(H,22,24)
InChIKeyKDCXBBGOJNTYPC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.77
Rot. Bonds4

About 4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide

4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide (PubChem CID 25155694) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
PubChem CID25155694
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C20H18N2O2/c21-13-14-6-8-16(9-7-14)20(24)22-18-12-17(10-11-19(18)23)15-4-2-1-3-5-15/h1-12,23H,13,21H2,(H,22,24)
InChIKeyKDCXBBGOJNTYPC-UHFFFAOYSA-N
XLogP3.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide (CID 25155694) is 4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide is NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
The InChIKey is KDCXBBGOJNTYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c21-13-14-6-8-16(9-7-14)20(24)22-18-12-17(10-11-19(18)23)15-4-2-1-3-5-15/h1-12,23H,13,21H2,(H,22,24).
What are the key properties of 4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide has a molecular weight of 318.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide is sourced from PubChem (CID 25155694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).