1-[4-(4-bromoanilino)phenyl]ethanone

C14H12BrNO — CID 11543832

IUPAC1-[4-(4-bromoanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNO/c1-10(17)11-2-6-13(7-3-11)16-14-8-4-12(15)5-9-14/h2-9,16H,1H3
InChIKeyYEHQQPLCXPIDCG-UHFFFAOYSA-N
MW290.16 g/mol
LogP4.40
Rot. Bonds3

About 1-[4-(4-bromoanilino)phenyl]ethanone

1-[4-(4-bromoanilino)phenyl]ethanone (PubChem CID 11543832) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-[4-(4-bromoanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-bromoanilino)phenyl]ethanone
PubChem CID11543832
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name1-[4-(4-bromoanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNO/c1-10(17)11-2-6-13(7-3-11)16-14-8-4-12(15)5-9-14/h2-9,16H,1H3
InChIKeyYEHQQPLCXPIDCG-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;1-(4-bromophenyl)ethanone
CID 174710467
1-bromo-4-[(E)-3-(4-bromophenyl)but-2-en-2-yl]benzene;1-(4-bromophenyl)ethanone
CID 157172690
1-(4-bromophenyl)ethanone;dimethyl carbonate
CID 163740245
1-(4-bromophenyl)ethanone;butane
CID 69403420
1-[4-[[4-(4-bromoanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112904443
1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
CID 82536662
N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
1-[4-[2-(4-bromophenyl)ethynyl]phenyl]ethanone
CID 86068214
1-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 702723
N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
CID 110423647
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromoanilino)phenyl]ethanone?
The IUPAC name of 1-[4-(4-bromoanilino)phenyl]ethanone (CID 11543832) is 1-[4-(4-bromoanilino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-bromoanilino)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-bromoanilino)phenyl]ethanone is CC(=O)c1ccc(Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[4-(4-bromoanilino)phenyl]ethanone?
The InChIKey is YEHQQPLCXPIDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-10(17)11-2-6-13(7-3-11)16-14-8-4-12(15)5-9-14/h2-9,16H,1H3.
What are the key properties of 1-[4-(4-bromoanilino)phenyl]ethanone?
1-[4-(4-bromoanilino)phenyl]ethanone has a molecular weight of 290.16 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromoanilino)phenyl]ethanone is sourced from PubChem (CID 11543832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).