2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide

C13H18Cl2N2O — CID 60646972

IUPAC2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-4-9(3)16-7-11(18)17-13-10(14)6-5-8(2)12(13)15/h5-6,9,16H,4,7H2,1-3H3,(H,17,18)
InChIKeyGDQKUGPUPMGKMZ-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.63
Rot. Bonds5

About 2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide

2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide (PubChem CID 60646972) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
PubChem CID60646972
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-4-9(3)16-7-11(18)17-13-10(14)6-5-8(2)12(13)15/h5-6,9,16H,4,7H2,1-3H3,(H,17,18)
InChIKeyGDQKUGPUPMGKMZ-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 124514697
2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide
CID 60646938
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 43156022
2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide
CID 114209116
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903
N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705546
2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263564

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide (CID 60646972) is 2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide is CCC(C)NCC(=O)Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide?
The InChIKey is GDQKUGPUPMGKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-4-9(3)16-7-11(18)17-13-10(14)6-5-8(2)12(13)15/h5-6,9,16H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide?
2-(butan-2-ylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide has a molecular weight of 289.21 g/mol, XLogP of 3.63, 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-(2,6-dichloro-3-methylphenyl)acetamide is sourced from PubChem (CID 60646972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).