2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide

C21H18N2O5 — CID 73347970

IUPAC2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide
SMILESO=C(Nc1c(C(=O)NCc2ccccc2)cc(O)c(O)c1O)c1ccccc1
InChIInChI=1S/C21H18N2O5/c24-16-11-15(21(28)22-12-13-7-3-1-4-8-13)17(19(26)18(16)25)23-20(27)14-9-5-2-6-10-14/h1-11,24-26H,12H2,(H,22,28)(H,23,27)
InChIKeyVYQFVFZWQVNTIH-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.99
Rot. Bonds5

About 2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide

2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide (PubChem CID 73347970) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide.

Molecular Properties

Compound Name2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide
PubChem CID73347970
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide
SMILESO=C(Nc1c(C(=O)NCc2ccccc2)cc(O)c(O)c1O)c1ccccc1
InChIInChI=1S/C21H18N2O5/c24-16-11-15(21(28)22-12-13-7-3-1-4-8-13)17(19(26)18(16)25)23-20(27)14-9-5-2-6-10-14/h1-11,24-26H,12H2,(H,22,28)(H,23,27)
InChIKeyVYQFVFZWQVNTIH-UHFFFAOYSA-N
XLogP2.99
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

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CID 140998444
N-benzyl-3,4-dihydroxy-5-nitrobenzamide
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2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
N-benzyl-5-chloro-2,4-dihydroxybenzamide
CID 137440573
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide
CID 47216049
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 20816888
3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
CID 109105081
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide?
The IUPAC name of 2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide (CID 73347970) is 2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide.
What is the SMILES notation for 2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide?
The canonical SMILES for 2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide is O=C(Nc1c(C(=O)NCc2ccccc2)cc(O)c(O)c1O)c1ccccc1.
What is the InChIKey of 2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide?
The InChIKey is VYQFVFZWQVNTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-16-11-15(21(28)22-12-13-7-3-1-4-8-13)17(19(26)18(16)25)23-20(27)14-9-5-2-6-10-14/h1-11,24-26H,12H2,(H,22,28)(H,23,27).
What are the key properties of 2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide?
2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide has a molecular weight of 378.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide is sourced from PubChem (CID 73347970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).