2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide

C12H15Br2ClN2O — CID 114209116

IUPAC2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C12H15Br2ClN2O/c1-3-7(2)16-6-11(18)17-12-9(13)4-8(15)5-10(12)14/h4-5,7,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyXBCSKVYAKHZKRO-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.19
Rot. Bonds5

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

2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide (PubChem CID 114209116) has the molecular formula C12H15Br2ClN2O and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide
PubChem CID114209116
Molecular FormulaC12H15Br2ClN2O
Molecular Weight398.53 g/mol
Exact Mass395.92
IUPAC Name2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C12H15Br2ClN2O/c1-3-7(2)16-6-11(18)17-12-9(13)4-8(15)5-10(12)14/h4-5,7,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyXBCSKVYAKHZKRO-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide
CID 60646938
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
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-(2,6-dimethylphenyl)acetamide
CID 21430532
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
2-(butan-2-ylamino)-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 114932408
2-(butan-2-ylamino)-N-(3-hydroxyphenyl)acetamide
CID 61166125
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide (CID 114209116) is 2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide is CCC(C)NCC(=O)Nc1c(Br)cc(Cl)cc1Br.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide?
The InChIKey is XBCSKVYAKHZKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2ClN2O/c1-3-7(2)16-6-11(18)17-12-9(13)4-8(15)5-10(12)14/h4-5,7,16H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide?
2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide has a molecular weight of 398.53 g/mol, XLogP of 4.19, 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-dibromo-4-chlorophenyl)acetamide is sourced from PubChem (CID 114209116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).