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

C16H16BrNO — CID 110823643

IUPAC1-(4-bromophenyl)-2-(4-ethylanilino)ethanone
SMILESCCc1ccc(NCC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO/c1-2-12-3-9-15(10-4-12)18-11-16(19)13-5-7-14(17)8-6-13/h3-10,18H,2,11H2,1H3
InChIKeyKMBKWWRKQOZXPD-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.31
Rot. Bonds5

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

1-(4-bromophenyl)-2-(4-ethylanilino)ethanone (PubChem CID 110823643) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4-ethylanilino)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4-ethylanilino)ethanone
PubChem CID110823643
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name1-(4-bromophenyl)-2-(4-ethylanilino)ethanone
SMILESCCc1ccc(NCC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO/c1-2-12-3-9-15(10-4-12)18-11-16(19)13-5-7-14(17)8-6-13/h3-10,18H,2,11H2,1H3
InChIKeyKMBKWWRKQOZXPD-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromophenyl)-2-oxoethyl] 4-ethylbenzoate
CID 874966
1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone
CID 94278555
1-(4-bromophenyl)-2-(tert-butylamino)ethanone
CID 67353037
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-(4-acetylphenyl)-2-(4-ethylanilino)acetamide
CID 37465418
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
CID 64643722
2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823677
1-bromo-4-ethylbenzene
CID 15313
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
2-(4-bromoanilino)acetic acid
CID 6917281
2-(bromoamino)-1-(4-bromophenyl)ethanone
CID 86670861
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(4-ethylanilino)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(4-ethylanilino)ethanone (CID 110823643) is 1-(4-bromophenyl)-2-(4-ethylanilino)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4-ethylanilino)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(4-ethylanilino)ethanone is CCc1ccc(NCC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4-ethylanilino)ethanone?
The InChIKey is KMBKWWRKQOZXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-2-12-3-9-15(10-4-12)18-11-16(19)13-5-7-14(17)8-6-13/h3-10,18H,2,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(4-ethylanilino)ethanone?
1-(4-bromophenyl)-2-(4-ethylanilino)ethanone has a molecular weight of 318.21 g/mol, XLogP of 4.31, 5 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-ethylanilino)ethanone is sourced from PubChem (CID 110823643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).