1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone

C17H18ClNO — CID 63566477

IUPAC1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
SMILESCc1ccc(N(C)CC(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H18ClNO/c1-12-4-9-16(13(2)10-12)19(3)11-17(20)14-5-7-15(18)8-6-14/h4-10H,11H2,1-3H3
InChIKeyJFPUFTKXNQMPRU-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.28
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone

1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone (PubChem CID 63566477) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
PubChem CID63566477
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
SMILESCc1ccc(N(C)CC(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H18ClNO/c1-12-4-9-16(13(2)10-12)19(3)11-17(20)14-5-7-15(18)8-6-14/h4-10H,11H2,1-3H3
InChIKeyJFPUFTKXNQMPRU-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
CID 63566298
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
propan-2-yl 2-(N,2,4-trimethylanilino)acetate
CID 60967713
N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 2454779
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
4-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62981009
3-chloro-4-[(N,2,4-trimethylanilino)methyl]benzenecarbothioamide
CID 102666208
1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493532
2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone
CID 63567372
N'-(2,4-dimethylphenyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103070244
3-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001405
1-(4-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650420

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone (CID 63566477) is 1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone is Cc1ccc(N(C)CC(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone?
The InChIKey is JFPUFTKXNQMPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-4-9-16(13(2)10-12)19(3)11-17(20)14-5-7-15(18)8-6-14/h4-10H,11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone?
1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone has a molecular weight of 287.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone is sourced from PubChem (CID 63566477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).