3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide

C12H13Cl2NO2 — CID 3015486

IUPAC3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2NO2/c1-7(16)12(2,3)15-11(17)8-4-9(13)6-10(14)5-8/h4-6H,1-3H3,(H,15,17)
InChIKeyIOSJQUCGMMIFFY-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.09
Rot. Bonds3

About 3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide

3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide (PubChem CID 3015486) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide
PubChem CID3015486
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2NO2/c1-7(16)12(2,3)15-11(17)8-4-9(13)6-10(14)5-8/h4-6H,1-3H3,(H,15,17)
InChIKeyIOSJQUCGMMIFFY-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide (CID 3015486) is 3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide is CC(=O)C(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide?
The InChIKey is IOSJQUCGMMIFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-7(16)12(2,3)15-11(17)8-4-9(13)6-10(14)5-8/h4-6H,1-3H3,(H,15,17).
What are the key properties of 3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide?
3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide has a molecular weight of 274.15 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide is sourced from PubChem (CID 3015486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).