1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone

C16H16BrNO — CID 12909509

IUPAC1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone
SMILESCc1ccc(NCC(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H16BrNO/c1-11-3-8-15(12(2)9-11)18-10-16(19)13-4-6-14(17)7-5-13/h3-9,18H,10H2,1-2H3
InChIKeyCNXVTBHRFOGPRD-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.36
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone

1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone (PubChem CID 12909509) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone
PubChem CID12909509
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone
SMILESCc1ccc(NCC(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H16BrNO/c1-11-3-8-15(12(2)9-11)18-10-16(19)13-4-6-14(17)7-5-13/h3-9,18H,10H2,1-2H3
InChIKeyCNXVTBHRFOGPRD-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(2,4-dimethylanilino)propan-1-one
CID 100817184
2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 94281141
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
N-[(4-bromophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630248
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
2-(2,4-dimethylanilino)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110824167
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone
CID 110823626
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3,4-dimethylphenyl)-4-oxobutanehydrazide
CID 55406874
1-(4-bromophenyl)-2-(tert-butylamino)ethanone
CID 67353037
1-(4-bromophenyl)-3-(2-hydroxy-4-methylphenyl)propane-1,3-dione
CID 877755
2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
CID 28572367

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone (CID 12909509) is 1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone is Cc1ccc(NCC(=O)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone?
The InChIKey is CNXVTBHRFOGPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11-3-8-15(12(2)9-11)18-10-16(19)13-4-6-14(17)7-5-13/h3-9,18H,10H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone?
1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone has a molecular weight of 318.21 g/mol, XLogP of 4.36, 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-(2,4-dimethylanilino)ethanone is sourced from PubChem (CID 12909509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).