3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide

C12H13Cl2NO2 — CID 138984141

IUPAC3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide
SMILESCC(C)(C)C(=O)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO2/c1-12(2,3)11(17)15-10(16)7-4-5-8(13)9(14)6-7/h4-6H,1-3H3,(H,15,16,17)
InChIKeyDFTUIXZASSODHO-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.30
Rot. Bonds1

About 3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide

3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide (PubChem CID 138984141) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide
PubChem CID138984141
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide
SMILESCC(C)(C)C(=O)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO2/c1-12(2,3)11(17)15-10(16)7-4-5-8(13)9(14)6-7/h4-6H,1-3H3,(H,15,16,17)
InChIKeyDFTUIXZASSODHO-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 55532232
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
3,4-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089519
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
4-chloro-3-[(3,4-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 3793222
1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 24724011
3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide
CID 159510980
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500989
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
1-(3,4-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724058

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide (CID 138984141) is 3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide is CC(C)(C)C(=O)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide?
The InChIKey is DFTUIXZASSODHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-12(2,3)11(17)15-10(16)7-4-5-8(13)9(14)6-7/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of 3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide?
3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide has a molecular weight of 274.15 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide is sourced from PubChem (CID 138984141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).