2-(2,3-dihydroxypropyl)benzamide

C10H13NO3 — CID 163691147

IUPAC2-(2,3-dihydroxypropyl)benzamide
SMILESNC(=O)c1ccccc1CC(O)CO
InChIInChI=1S/C10H13NO3/c11-10(14)9-4-2-1-3-7(9)5-8(13)6-12/h1-4,8,12-13H,5-6H2,(H2,11,14)
InChIKeyJTBFCNMYPWDGPT-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.32
Rot. Bonds4

About 2-(2,3-dihydroxypropyl)benzamide

2-(2,3-dihydroxypropyl)benzamide (PubChem CID 163691147) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)benzamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)benzamide
PubChem CID163691147
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(2,3-dihydroxypropyl)benzamide
SMILESNC(=O)c1ccccc1CC(O)CO
InChIInChI=1S/C10H13NO3/c11-10(14)9-4-2-1-3-7(9)5-8(13)6-12/h1-4,8,12-13H,5-6H2,(H2,11,14)
InChIKeyJTBFCNMYPWDGPT-UHFFFAOYSA-N
XLogP-0.32
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-amino-3-hydroxypropyl]benzamide
CID 66587137
[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone
CID 174521590
2-[(2R)-2-aminobutyl]benzamide
CID 96928036
(2R)-2-azaniumyl-3-(2-carbamoylphenyl)propanoate
CID 7146206
5-(2,3-dihydroxypropyl)-2,4-diiodobenzene-1,3-dicarboxamide
CID 175125676
2-[(2S,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 175724621
2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide
CID 79248915
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
2-(2-aminopropylsulfanylmethyl)benzamide
CID 66218202
2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
CID 164703528
2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid
CID 24694851
2-(dibromomethoxymethyl)benzamide
CID 142794227

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)benzamide?
The IUPAC name of 2-(2,3-dihydroxypropyl)benzamide (CID 163691147) is 2-(2,3-dihydroxypropyl)benzamide.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)benzamide?
The canonical SMILES for 2-(2,3-dihydroxypropyl)benzamide is NC(=O)c1ccccc1CC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropyl)benzamide?
The InChIKey is JTBFCNMYPWDGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-10(14)9-4-2-1-3-7(9)5-8(13)6-12/h1-4,8,12-13H,5-6H2,(H2,11,14).
What are the key properties of 2-(2,3-dihydroxypropyl)benzamide?
2-(2,3-dihydroxypropyl)benzamide has a molecular weight of 195.22 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)benzamide is sourced from PubChem (CID 163691147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).