N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide

C13H16FNO2 — CID 64991573

IUPACN-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
SMILESCC(C)(C)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c1-13(2,3)11(16)8-15-12(17)9-5-4-6-10(14)7-9/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyKBTMLXDMOYNJNF-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.17
Rot. Bonds3

About N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide

N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide (PubChem CID 64991573) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
PubChem CID64991573
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
SMILESCC(C)(C)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c1-13(2,3)11(16)8-15-12(17)9-5-4-6-10(14)7-9/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyKBTMLXDMOYNJNF-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-3-methylbenzamide
CID 64991928
3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79380984
N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
CID 104920518
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
2-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533786
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
CID 107156883
3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
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N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
CID 112997286

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide (CID 64991573) is N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide is CC(C)(C)C(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide?
The InChIKey is KBTMLXDMOYNJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-13(2,3)11(16)8-15-12(17)9-5-4-6-10(14)7-9/h4-7H,8H2,1-3H3,(H,15,17).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide?
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide has a molecular weight of 237.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide is sourced from PubChem (CID 64991573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).