2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide

C12H15Cl3N2O — CID 60646938

IUPAC2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O/c1-3-7(2)16-6-11(18)17-12-9(14)4-8(13)5-10(12)15/h4-5,7,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyYLONEYRMJBULMO-UHFFFAOYSA-N
MW309.62 g/mol
LogP3.97
Rot. Bonds5

About 2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide

2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 60646938) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID60646938
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC Name2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O/c1-3-7(2)16-6-11(18)17-12-9(14)4-8(13)5-10(12)15/h4-5,7,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyYLONEYRMJBULMO-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide
CID 114209116
2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 60646972
2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 124514697
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
2-(butan-2-ylamino)-1-(2,4-dichlorophenyl)ethanone
CID 82101529
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903
2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide
CID 112604411
2-(butan-2-ylamino)-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 114932408
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide (CID 60646938) is 2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide is CCC(C)NCC(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is YLONEYRMJBULMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O/c1-3-7(2)16-6-11(18)17-12-9(14)4-8(13)5-10(12)15/h4-5,7,16H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide?
2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 309.62 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 60646938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).