N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide

C14H20FNO — CID 103461119

IUPACN-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cccc(C)c1F
InChIInChI=1S/C14H20FNO/c1-5-14(3,4)9-16-13(17)11-8-6-7-10(2)12(11)15/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyDLFAQERRFYGAPT-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.30
Rot. Bonds4

About N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide

N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide (PubChem CID 103461119) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
PubChem CID103461119
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cccc(C)c1F
InChIInChI=1S/C14H20FNO/c1-5-14(3,4)9-16-13(17)11-8-6-7-10(2)12(11)15/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyDLFAQERRFYGAPT-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
3-(2,2-dimethylbutylcarbamoyl)-4-fluoro-5-methylbenzenesulfonyl chloride
CID 103465557
3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
2-fluoro-3-methyl-N-prop-2-ynylbenzamide
CID 80717864
2-(2,2-dimethylbutylcarbamoyl)benzenesulfonic acid
CID 54199366
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide
CID 107158406

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide (CID 103461119) is N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide is CCC(C)(C)CNC(=O)c1cccc(C)c1F.
What is the InChIKey of N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide?
The InChIKey is DLFAQERRFYGAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-5-14(3,4)9-16-13(17)11-8-6-7-10(2)12(11)15/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide?
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide has a molecular weight of 237.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103461119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).