1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone

C14H12BrNO2 — CID 152595651

IUPAC1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone
SMILESO=C(CN(O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c15-12-8-6-11(7-9-12)14(17)10-16(18)13-4-2-1-3-5-13/h1-9,18H,10H2
InChIKeyYWKNYZGQZQCEDS-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone

1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone (PubChem CID 152595651) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone
PubChem CID152595651
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone
SMILESO=C(CN(O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c15-12-8-6-11(7-9-12)14(17)10-16(18)13-4-2-1-3-5-13/h1-9,18H,10H2
InChIKeyYWKNYZGQZQCEDS-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide
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N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide
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N-benzyl-4-bromo-N-phenylbenzamide
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1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone (CID 152595651) is 1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone is O=C(CN(O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone?
The InChIKey is YWKNYZGQZQCEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-12-8-6-11(7-9-12)14(17)10-16(18)13-4-2-1-3-5-13/h1-9,18H,10H2.
What are the key properties of 1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone?
1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone has a molecular weight of 306.16 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone is sourced from PubChem (CID 152595651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).