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

C15H14BrNO — CID 878879

IUPAC1-(4-bromophenyl)-2-(2-methylanilino)ethanone
SMILESCc1ccccc1NCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO/c1-11-4-2-3-5-14(11)17-10-15(18)12-6-8-13(16)9-7-12/h2-9,17H,10H2,1H3
InChIKeyGBEWQLSLKACAHE-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.05
Rot. Bonds4

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

1-(4-bromophenyl)-2-(2-methylanilino)ethanone (PubChem CID 878879) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-methylanilino)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-methylanilino)ethanone
PubChem CID878879
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name1-(4-bromophenyl)-2-(2-methylanilino)ethanone
SMILESCc1ccccc1NCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO/c1-11-4-2-3-5-14(11)17-10-15(18)12-6-8-13(16)9-7-12/h2-9,17H,10H2,1H3
InChIKeyGBEWQLSLKACAHE-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.05
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-(2-methylanilino)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2-methylanilino)ethanone (CID 878879) is 1-(4-bromophenyl)-2-(2-methylanilino)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-methylanilino)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-methylanilino)ethanone is Cc1ccccc1NCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-methylanilino)ethanone?
The InChIKey is GBEWQLSLKACAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-11-4-2-3-5-14(11)17-10-15(18)12-6-8-13(16)9-7-12/h2-9,17H,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(2-methylanilino)ethanone?
1-(4-bromophenyl)-2-(2-methylanilino)ethanone has a molecular weight of 304.19 g/mol, XLogP of 4.05, 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-methylanilino)ethanone is sourced from PubChem (CID 878879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).