1-(4-bromophenyl)-2-(4-chloroanilino)ethanone

C14H11BrClNO — CID 877305

IUPAC1-(4-bromophenyl)-2-(4-chloroanilino)ethanone
SMILESO=C(CNc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClNO/c15-11-3-1-10(2-4-11)14(18)9-17-13-7-5-12(16)6-8-13/h1-8,17H,9H2
InChIKeyOIRRSJPCKIXCNZ-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.40
Rot. Bonds4

About 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone

1-(4-bromophenyl)-2-(4-chloroanilino)ethanone (PubChem CID 877305) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4-chloroanilino)ethanone
PubChem CID877305
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name1-(4-bromophenyl)-2-(4-chloroanilino)ethanone
SMILESO=C(CNc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClNO/c15-11-3-1-10(2-4-11)14(18)9-17-13-7-5-12(16)6-8-13/h1-8,17H,9H2
InChIKeyOIRRSJPCKIXCNZ-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone (CID 877305) is 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone is O=C(CNc1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone?
The InChIKey is OIRRSJPCKIXCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c15-11-3-1-10(2-4-11)14(18)9-17-13-7-5-12(16)6-8-13/h1-8,17H,9H2.
What are the key properties of 1-(4-bromophenyl)-2-(4-chloroanilino)ethanone?
1-(4-bromophenyl)-2-(4-chloroanilino)ethanone has a molecular weight of 324.61 g/mol, XLogP of 4.40, 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-(4-chloroanilino)ethanone is sourced from PubChem (CID 877305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).