N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide

C21H20N2O3 — CID 10593843

IUPACN-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(NCc2cc(O)ccc2O)cc1
InChIInChI=1S/C21H20N2O3/c24-19-10-11-20(25)17(12-19)14-22-18-8-6-16(7-9-18)21(26)23-13-15-4-2-1-3-5-15/h1-12,22,24-25H,13-14H2,(H,23,26)
InChIKeyQQMFNDVDKBSOEC-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.64
Rot. Bonds6

About N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide

N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide (PubChem CID 10593843) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide
PubChem CID10593843
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(NCc2cc(O)ccc2O)cc1
InChIInChI=1S/C21H20N2O3/c24-19-10-11-20(25)17(12-19)14-22-18-8-6-16(7-9-18)21(26)23-13-15-4-2-1-3-5-15/h1-12,22,24-25H,13-14H2,(H,23,26)
InChIKeyQQMFNDVDKBSOEC-UHFFFAOYSA-N
XLogP3.64
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bentiromide
CID 6957673
4-((2-(Benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic acid
CID 2329
2-fluoro-N-(2-hydroxybenzyl)-N-(4-methylphenyl)benzamide
CID 835182
N-[2-(4-acetamidophenyl)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 263065
4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(4-hydroxyphenyl)benzamide
CID 44564914
N-{4-[(4-hydroxyphenyl)carbamoyl]phenyl}-3-methylbenzamide
CID 1265012
Benzyl 4-((2,5-dihydroxybenzyl)amino)benzoate
CID 386490
N-[3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide
CID 740408
N-{3-[4-(dimethylamino)phenyl]acryloyl}-2-hydroxybenzamide
CID 740409
N-(4-hydroxyphenyl)-4-[(phenylacetyl)amino]benzamide
CID 839598
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 10043236
5-(2,5-Dihydroxy-benzylamino)-N-[2-(4-fluoro-phenyl)-ethyl]-2-hydroxy-benzamide
CID 10318571

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide?
The IUPAC name of N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide (CID 10593843) is N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide.
What is the SMILES notation for N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide?
The canonical SMILES for N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide is O=C(NCc1ccccc1)c1ccc(NCc2cc(O)ccc2O)cc1.
What is the InChIKey of N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide?
The InChIKey is QQMFNDVDKBSOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-19-10-11-20(25)17(12-19)14-22-18-8-6-16(7-9-18)21(26)23-13-15-4-2-1-3-5-15/h1-12,22,24-25H,13-14H2,(H,23,26).
What are the key properties of N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide?
N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide has a molecular weight of 348.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide is sourced from PubChem (CID 10593843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).