3-(2-bromophenyl)-N-hydroxypropanamide

C9H10BrNO2 — CID 130732789

IUPAC3-(2-bromophenyl)-N-hydroxypropanamide
SMILESO=C(CCc1ccccc1Br)NO
InChIInChI=1S/C9H10BrNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-4,13H,5-6H2,(H,11,12)
InChIKeySZLRXPFZTSOQGP-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.89
Rot. Bonds3

About 3-(2-bromophenyl)-N-hydroxypropanamide

3-(2-bromophenyl)-N-hydroxypropanamide (PubChem CID 130732789) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-hydroxypropanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-hydroxypropanamide
PubChem CID130732789
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name3-(2-bromophenyl)-N-hydroxypropanamide
SMILESO=C(CCc1ccccc1Br)NO
InChIInChI=1S/C9H10BrNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-4,13H,5-6H2,(H,11,12)
InChIKeySZLRXPFZTSOQGP-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-bromophenyl)propanoylamino]butanoic acid
CID 75428748
4-(2-bromophenyl)-1-hydroxybutan-2-one
CID 82293550
3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 51085814
3-(2-bromophenyl)-1-phenylpropan-1-one
CID 11358208
methyl 4-(2-bromophenyl)-2-oxobutanoate
CID 18370164
3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 47267332
5-(2-bromophenyl)pentanehydrazide
CID 116843802
methyl 6-(2-bromophenyl)-4-oxohexanoate
CID 63899687
(2S,3S)-2-[3-(2-bromophenyl)propanoylamino]-3-methylpentanoic acid
CID 119193793
3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654083
N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide
CID 115273754
N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride
CID 119643020

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-hydroxypropanamide?
The IUPAC name of 3-(2-bromophenyl)-N-hydroxypropanamide (CID 130732789) is 3-(2-bromophenyl)-N-hydroxypropanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-hydroxypropanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-hydroxypropanamide is O=C(CCc1ccccc1Br)NO.
What is the InChIKey of 3-(2-bromophenyl)-N-hydroxypropanamide?
The InChIKey is SZLRXPFZTSOQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-4,13H,5-6H2,(H,11,12).
What are the key properties of 3-(2-bromophenyl)-N-hydroxypropanamide?
3-(2-bromophenyl)-N-hydroxypropanamide has a molecular weight of 244.09 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-hydroxypropanamide is sourced from PubChem (CID 130732789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).