2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide

C14H14N2O3 — CID 5247000

IUPAC2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide
SMILESNc1ccccc1C(=O)Nc1ccccc1C(O)O
InChIInChI=1S/C14H14N2O3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8,14,18-19H,15H2,(H,16,17)
InChIKeyMMGHIIXHRIPJGL-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.50
Rot. Bonds3

About 2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide

2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide (PubChem CID 5247000) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide
PubChem CID5247000
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide
SMILESNc1ccccc1C(=O)Nc1ccccc1C(O)O
InChIInChI=1S/C14H14N2O3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8,14,18-19H,15H2,(H,16,17)
InChIKeyMMGHIIXHRIPJGL-UHFFFAOYSA-N
XLogP1.50
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 6395404
CID 6395404
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
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2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
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2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
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3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide
CID 97030400
3-amino-N-(2-butan-2-ylphenyl)-2-methylbenzamide
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2-hydroxy-N-[2-(1-hydroxyethyl)phenyl]benzamide
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2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
CID 10686637
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide?
The IUPAC name of 2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide (CID 5247000) is 2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide is Nc1ccccc1C(=O)Nc1ccccc1C(O)O.
What is the InChIKey of 2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide?
The InChIKey is MMGHIIXHRIPJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8,14,18-19H,15H2,(H,16,17).
What are the key properties of 2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide?
2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide has a molecular weight of 258.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dihydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 5247000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).