3-(3-bromophenyl)-2,3-dihydroxypropanamide

C9H10BrNO3 — CID 171869213

IUPAC3-(3-bromophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cccc(Br)c1
InChIInChI=1S/C9H10BrNO3/c10-6-3-1-2-5(4-6)7(12)8(13)9(11)14/h1-4,7-8,12-13H,(H2,11,14)
InChIKeyMWFGHPDFVRLAQR-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.33
Rot. Bonds3

About 3-(3-bromophenyl)-2,3-dihydroxypropanamide

3-(3-bromophenyl)-2,3-dihydroxypropanamide (PubChem CID 171869213) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-2,3-dihydroxypropanamide
PubChem CID171869213
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name3-(3-bromophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cccc(Br)c1
InChIInChI=1S/C9H10BrNO3/c10-6-3-1-2-5(4-6)7(12)8(13)9(11)14/h1-4,7-8,12-13H,(H2,11,14)
InChIKeyMWFGHPDFVRLAQR-UHFFFAOYSA-N
XLogP0.33
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenyl)-2,3-dihydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 66205536
(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 174944828
3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide
CID 171867840
2-(3-bromophenyl)-2-hydroxyacetic acid
CID 2757028
3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
CID 171868100
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
methyl 3-(3-bromophenyl)-3-hydroxy-2-(hydroxymethyl)propanoate
CID 175574442
tert-butyl (2S,3R)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoate
CID 46900208
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
CID 106344282
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
sodium 3-amino-3-(3-bromophenyl)propanoate
CID 23674479

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(3-bromophenyl)-2,3-dihydroxypropanamide (CID 171869213) is 3-(3-bromophenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3-bromophenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(3-bromophenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-2,3-dihydroxypropanamide?
The InChIKey is MWFGHPDFVRLAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c10-6-3-1-2-5(4-6)7(12)8(13)9(11)14/h1-4,7-8,12-13H,(H2,11,14).
What are the key properties of 3-(3-bromophenyl)-2,3-dihydroxypropanamide?
3-(3-bromophenyl)-2,3-dihydroxypropanamide has a molecular weight of 260.09 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).