1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone

C14H10BrCl2NO — CID 110823624

IUPAC1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone
SMILESO=C(CNc1cccc(Cl)c1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrCl2NO/c15-10-6-4-9(5-7-10)13(19)8-18-12-3-1-2-11(16)14(12)17/h1-7,18H,8H2
InChIKeyYEFIKKXFITUUJG-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.05
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone

1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone (PubChem CID 110823624) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone
PubChem CID110823624
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone
SMILESO=C(CNc1cccc(Cl)c1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrCl2NO/c15-10-6-4-9(5-7-10)13(19)8-18-12-3-1-2-11(16)14(12)17/h1-7,18H,8H2
InChIKeyYEFIKKXFITUUJG-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.05
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone
CID 110823626
2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone
CID 110825563
2-(4-bromophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 1346170
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
2-(bromoamino)-1-(4-bromophenyl)ethanone
CID 86670861
2,3-dichloro-N-(2-phenylprop-2-enyl)aniline
CID 115328098
N-(4-chlorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 29039257
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline
CID 79167531
1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
CID 108902238
2-(2,3-dichloroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28774942
1-(4-bromophenyl)-2-(tert-butylamino)ethanone
CID 67353037

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone (CID 110823624) is 1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone is O=C(CNc1cccc(Cl)c1Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone?
The InChIKey is YEFIKKXFITUUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c15-10-6-4-9(5-7-10)13(19)8-18-12-3-1-2-11(16)14(12)17/h1-7,18H,8H2.
What are the key properties of 1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone?
1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone has a molecular weight of 359.05 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone is sourced from PubChem (CID 110823624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).