3-(4-bromophenyl)-3-hydroxypropanamide

C9H10BrNO2 — CID 11514276

IUPAC3-(4-bromophenyl)-3-hydroxypropanamide
SMILESNC(=O)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)8(12)5-9(11)13/h1-4,8,12H,5H2,(H2,11,13)
InChIKeyNQHUCPXECSLZOI-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.36
Rot. Bonds3

About 3-(4-bromophenyl)-3-hydroxypropanamide

3-(4-bromophenyl)-3-hydroxypropanamide (PubChem CID 11514276) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-hydroxypropanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-hydroxypropanamide
PubChem CID11514276
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name3-(4-bromophenyl)-3-hydroxypropanamide
SMILESNC(=O)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)8(12)5-9(11)13/h1-4,8,12H,5H2,(H2,11,13)
InChIKeyNQHUCPXECSLZOI-UHFFFAOYSA-N
XLogP1.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 11579638
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
3-(4-bromophenyl)-3-hydroxypropanehydrazide
CID 11846937
ethyl 4-(4-bromophenyl)-4-hydroxy-2-methylidenebutanoate
CID 11958195
3-(4-bromophenyl)-3-hydroxy-N-phenylpropanamide
CID 22142303
2-aminooxy-1-(4-bromophenyl)ethanol
CID 82115920
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide
CID 81359953
2-(4-bromophenyl)-2-sulfanylacetamide
CID 173431323
4-(4-bromophenyl)-2-oxopentanamide
CID 59163793
3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid
CID 82347872
[(2S)-2-(4-bromophenyl)propyl] carbamate
CID 175558973

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-hydroxypropanamide?
The IUPAC name of 3-(4-bromophenyl)-3-hydroxypropanamide (CID 11514276) is 3-(4-bromophenyl)-3-hydroxypropanamide.
What is the SMILES notation for 3-(4-bromophenyl)-3-hydroxypropanamide?
The canonical SMILES for 3-(4-bromophenyl)-3-hydroxypropanamide is NC(=O)CC(O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-3-hydroxypropanamide?
The InChIKey is NQHUCPXECSLZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)8(12)5-9(11)13/h1-4,8,12H,5H2,(H2,11,13).
What are the key properties of 3-(4-bromophenyl)-3-hydroxypropanamide?
3-(4-bromophenyl)-3-hydroxypropanamide has a molecular weight of 244.09 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-hydroxypropanamide is sourced from PubChem (CID 11514276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).