3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide

C10H12BrNO3 — CID 155534689

IUPAC3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CC(O)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-12(15)10(14)6-9(13)7-3-2-4-8(11)5-7/h2-5,9,13,15H,6H2,1H3
InChIKeyXOCYAQHDFFMPDV-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.72
Rot. Bonds3

About 3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide

3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide (PubChem CID 155534689) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide
PubChem CID155534689
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CC(O)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO3/c1-12(15)10(14)6-9(13)7-3-2-4-8(11)5-7/h2-5,9,13,15H,6H2,1H3
InChIKeyXOCYAQHDFFMPDV-UHFFFAOYSA-N
XLogP1.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide 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

(3S)-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 11673188
ethyl 5-(3-bromophenyl)-5-hydroxy-3-oxopentanoate
CID 71472878
1-(3-bromophenyl)-3-methylidenepentan-1-ol
CID 66044340
S-(4-methylphenyl) (3R)-3-(3-bromophenyl)-3-hydroxypropanethioate
CID 177434874
1-(3-bromophenyl)butan-1-ol
CID 18417756
methyl 3-(3-bromophenyl)-3-(dimethylamino)propanoate
CID 116910238
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-[[2-(3-bromophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
CID 110885617
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butanamide
CID 115894656
1-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide?
The IUPAC name of 3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide (CID 155534689) is 3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide?
The canonical SMILES for 3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide is CN(O)C(=O)CC(O)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide?
The InChIKey is XOCYAQHDFFMPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-12(15)10(14)6-9(13)7-3-2-4-8(11)5-7/h2-5,9,13,15H,6H2,1H3.
What are the key properties of 3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide?
3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide has a molecular weight of 274.11 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide is sourced from PubChem (CID 155534689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).