N-[(2,3-dihydroxyphenyl)methyl]benzamide

C14H13NO3 — CID 143948328

IUPACN-[(2,3-dihydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1cccc(O)c1O)c1ccccc1
InChIInChI=1S/C14H13NO3/c16-12-8-4-7-11(13(12)17)9-15-14(18)10-5-2-1-3-6-10/h1-8,16-17H,9H2,(H,15,18)
InChIKeyYXDNMPAIGBOHFF-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.03
Rot. Bonds3

About N-[(2,3-dihydroxyphenyl)methyl]benzamide

N-[(2,3-dihydroxyphenyl)methyl]benzamide (PubChem CID 143948328) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-[(2,3-dihydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2,3-dihydroxyphenyl)methyl]benzamide
PubChem CID143948328
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC NameN-[(2,3-dihydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1cccc(O)c1O)c1ccccc1
InChIInChI=1S/C14H13NO3/c16-12-8-4-7-11(13(12)17)9-15-14(18)10-5-2-1-3-6-10/h1-8,16-17H,9H2,(H,15,18)
InChIKeyYXDNMPAIGBOHFF-UHFFFAOYSA-N
XLogP2.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[2-(benzamidomethyl)phenyl]boronic acid
CID 10244067
3-(benzamidomethyl)-2-fluorobenzoic acid
CID 175493024
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598851
4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113241883
2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 71881144
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275
3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 114331529
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-(benzamidomethyl)-5-bromo-2-hydroxybenzoic acid
CID 6610599
N-[(2-chloro-3-pyridinyl)methyl]benzamide
CID 90812537

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dihydroxyphenyl)methyl]benzamide?
The IUPAC name of N-[(2,3-dihydroxyphenyl)methyl]benzamide (CID 143948328) is N-[(2,3-dihydroxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[(2,3-dihydroxyphenyl)methyl]benzamide?
The canonical SMILES for N-[(2,3-dihydroxyphenyl)methyl]benzamide is O=C(NCc1cccc(O)c1O)c1ccccc1.
What is the InChIKey of N-[(2,3-dihydroxyphenyl)methyl]benzamide?
The InChIKey is YXDNMPAIGBOHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-12-8-4-7-11(13(12)17)9-15-14(18)10-5-2-1-3-6-10/h1-8,16-17H,9H2,(H,15,18).
What are the key properties of N-[(2,3-dihydroxyphenyl)methyl]benzamide?
N-[(2,3-dihydroxyphenyl)methyl]benzamide has a molecular weight of 243.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dihydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 143948328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).