2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide

C13H16ClNO2 — CID 64991561

IUPAC2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide
SMILESCC(C)(C)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-13(2,3)11(16)8-15-12(17)9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyNOJKKEXTIPBDIH-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide

2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide (PubChem CID 64991561) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide
PubChem CID64991561
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide
SMILESCC(C)(C)C(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-13(2,3)11(16)8-15-12(17)9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyNOJKKEXTIPBDIH-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[(2-chlorobenzoyl)amino]acetate
CID 78966461
N-(3,3-dimethyl-2-oxobutyl)-2-nitrobenzamide
CID 64991410
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide
CID 4927487
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
CID 64991724
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 24546452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide?
The IUPAC name of 2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide (CID 64991561) is 2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide?
The canonical SMILES for 2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide is CC(C)(C)C(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide?
The InChIKey is NOJKKEXTIPBDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-13(2,3)11(16)8-15-12(17)9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H,15,17).
What are the key properties of 2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide?
2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide has a molecular weight of 253.73 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide is sourced from PubChem (CID 64991561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).