1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone

C14H10BrCl2NO — CID 110823626

IUPAC1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone
SMILESO=C(CNc1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrCl2NO/c15-10-3-1-9(2-4-10)14(19)8-18-13-7-11(16)5-6-12(13)17/h1-7,18H,8H2
InChIKeyZCZCUOGMYIYHHX-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.05
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone

1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone (PubChem CID 110823626) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone
PubChem CID110823626
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone
SMILESO=C(CNc1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrCl2NO/c15-10-3-1-9(2-4-10)14(19)8-18-13-7-11(16)5-6-12(13)17/h1-7,18H,8H2
InChIKeyZCZCUOGMYIYHHX-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

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Related Compounds

4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone
CID 110823624
2-(5-bromo-2-chloroanilino)acetamide
CID 62914883
2-(5-bromo-2-chloroanilino)-N-(4-chlorophenyl)acetamide
CID 63492462
2-(2,5-dichloroanilino)ethanethioamide
CID 82083282
2-(bromoamino)-1-(4-bromophenyl)ethanone
CID 86670861
5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline
CID 63491940
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654145
N-tert-butyl-4-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819548
1-(4-bromophenyl)-2-(tert-butylamino)ethanone
CID 67353037
N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide
CID 28568189

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone (CID 110823626) is 1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone is O=C(CNc1cc(Cl)ccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone?
The InChIKey is ZCZCUOGMYIYHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c15-10-3-1-9(2-4-10)14(19)8-18-13-7-11(16)5-6-12(13)17/h1-7,18H,8H2.
What are the key properties of 1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone?
1-(4-bromophenyl)-2-(2,5-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-(2,5-dichloroanilino)ethanone is sourced from PubChem (CID 110823626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).