1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone

C17H18ClNO — CID 63566298

IUPAC1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
SMILESCc1ccc(N(C)CC(=O)c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H18ClNO/c1-12-7-8-16(13(2)9-12)19(3)11-17(20)14-5-4-6-15(18)10-14/h4-10H,11H2,1-3H3
InChIKeyPNYBSELYWCFNDE-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.28
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone

1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone (PubChem CID 63566298) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
PubChem CID63566298
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
SMILESCc1ccc(N(C)CC(=O)c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H18ClNO/c1-12-7-8-16(13(2)9-12)19(3)11-17(20)14-5-4-6-15(18)10-14/h4-10H,11H2,1-3H3
InChIKeyPNYBSELYWCFNDE-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-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
CID 63566477
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726340
1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413761
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
1-(3-chlorophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489443
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
1-(3-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050486
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
CID 24725678
1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
CID 63554610

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone (CID 63566298) is 1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone is Cc1ccc(N(C)CC(=O)c2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone?
The InChIKey is PNYBSELYWCFNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-7-8-16(13(2)9-12)19(3)11-17(20)14-5-4-6-15(18)10-14/h4-10H,11H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone?
1-(3-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-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone is sourced from PubChem (CID 63566298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).