2-(4-bromophenyl)-2-hydroxybutanamide

C10H12BrNO2 — CID 10171492

IUPAC2-(4-bromophenyl)-2-hydroxybutanamide
SMILESCCC(O)(C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c1-2-10(14,9(12)13)7-3-5-8(11)6-4-7/h3-6,14H,2H2,1H3,(H2,12,13)
InChIKeyHLTFSWQHCVTZFI-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.53
Rot. Bonds3

About 2-(4-bromophenyl)-2-hydroxybutanamide

2-(4-bromophenyl)-2-hydroxybutanamide (PubChem CID 10171492) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-hydroxybutanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-hydroxybutanamide
PubChem CID10171492
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name2-(4-bromophenyl)-2-hydroxybutanamide
SMILESCCC(O)(C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c1-2-10(14,9(12)13)7-3-5-8(11)6-4-7/h3-6,14H,2H2,1H3,(H2,12,13)
InChIKeyHLTFSWQHCVTZFI-UHFFFAOYSA-N
XLogP1.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-hydroxybutanamide?
The IUPAC name of 2-(4-bromophenyl)-2-hydroxybutanamide (CID 10171492) is 2-(4-bromophenyl)-2-hydroxybutanamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-hydroxybutanamide?
The canonical SMILES for 2-(4-bromophenyl)-2-hydroxybutanamide is CCC(O)(C(N)=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-hydroxybutanamide?
The InChIKey is HLTFSWQHCVTZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-2-10(14,9(12)13)7-3-5-8(11)6-4-7/h3-6,14H,2H2,1H3,(H2,12,13).
What are the key properties of 2-(4-bromophenyl)-2-hydroxybutanamide?
2-(4-bromophenyl)-2-hydroxybutanamide has a molecular weight of 258.12 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-hydroxybutanamide is sourced from PubChem (CID 10171492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).