2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide

C12H13ClFNO2 — CID 64993974

IUPAC2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
SMILESCC(C)C(=O)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO2/c1-7(2)10(16)6-15-12(17)11-8(13)4-3-5-9(11)14/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyWJHNYWQLFWKFCK-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide

2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide (PubChem CID 64993974) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
PubChem CID64993974
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
SMILESCC(C)C(=O)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO2/c1-7(2)10(16)6-15-12(17)11-8(13)4-3-5-9(11)14/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyWJHNYWQLFWKFCK-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 112996056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide (CID 64993974) is 2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide is CC(C)C(=O)CNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is WJHNYWQLFWKFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c1-7(2)10(16)6-15-12(17)11-8(13)4-3-5-9(11)14/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide?
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 257.69 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 64993974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).