2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone

C12H15Cl2NO — CID 82101529

IUPAC2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone
SMILESCCC(C)NCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-8(2)15-7-12(16)10-5-4-9(13)6-11(10)14/h4-6,8,15H,3,7H2,1-2H3
InChIKeyWVSKYFHNEGILDE-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.56
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone

2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone (PubChem CID 82101529) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone
PubChem CID82101529
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone
SMILESCCC(C)NCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-8(2)15-7-12(16)10-5-4-9(13)6-11(10)14/h4-6,8,15H,3,7H2,1-2H3
InChIKeyWVSKYFHNEGILDE-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide
CID 60646938
2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]amino]-3-sulfanylpropanoic acid
CID 140569269
2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone
CID 116556091
1-(2,4-dichlorophenyl)-3-methylhexan-1-one
CID 114968710
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2378941
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
1-(2,4-dichlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanone
CID 103489285
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801
1-(2,4-dichlorophenyl)-4-methylpent-4-en-1-one
CID 115802801

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone (CID 82101529) is 2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone is CCC(C)NCC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is WVSKYFHNEGILDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-8(2)15-7-12(16)10-5-4-9(13)6-11(10)14/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone?
2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 260.16 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 82101529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).