3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide

C11H11Cl2NO2 — CID 175166740

IUPAC3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide
SMILESCC(C)(C=O)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c1-11(2,6-15)14-10(16)7-3-8(12)5-9(13)4-7/h3-6H,1-2H3,(H,14,16)
InChIKeyXBPRWPIRURFLBG-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.70
Rot. Bonds3

About 3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide

3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide (PubChem CID 175166740) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide
PubChem CID175166740
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide
SMILESCC(C)(C=O)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c1-11(2,6-15)14-10(16)7-3-8(12)5-9(13)4-7/h3-6H,1-2H3,(H,14,16)
InChIKeyXBPRWPIRURFLBG-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109048535
3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide
CID 54220848
3,5-dichlorobenzohydrazide
CID 2735966
[3-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-oxobutyl] methanesulfonate
CID 54083760
3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
CID 114149347
tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 52778263
N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide
CID 88654986
3,5-dichloro-N-propylbenzamide
CID 2767298
(4-chlorophenyl) 2-chloro-4-[(3,5-dichlorobenzoyl)amino]-4-methyl-3-oxopentanoate
CID 15754056
3-bromo-5-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 104630033
3-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylbenzamide
CID 104629940
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide (CID 175166740) is 3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide is CC(C)(C=O)NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide?
The InChIKey is XBPRWPIRURFLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-11(2,6-15)14-10(16)7-3-8(12)5-9(13)4-7/h3-6H,1-2H3,(H,14,16).
What are the key properties of 3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide?
3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide has a molecular weight of 260.12 g/mol, XLogP of 2.70, 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-1-oxopropan-2-yl)benzamide is sourced from PubChem (CID 175166740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).