N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide

C14H20FNO — CID 115611491

IUPACN-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCC(C)(C)C)ccc1F
InChIInChI=1S/C14H20FNO/c1-10-9-11(5-6-12(10)15)13(17)16-8-7-14(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChIKeyWUDXOGXQPBDQQL-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.30
Rot. Bonds3

About N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide

N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide (PubChem CID 115611491) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
PubChem CID115611491
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCC(C)(C)C)ccc1F
InChIInChI=1S/C14H20FNO/c1-10-9-11(5-6-12(10)15)13(17)16-8-7-14(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChIKeyWUDXOGXQPBDQQL-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-3-methylbenzamide
CID 64991928
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159
N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
N-(4-amino-4-sulfanylidenebutyl)-4-fluoro-3-methylbenzamide
CID 63210296
4-(3,3-dimethylbutylcarbamoyl)benzoic acid
CID 113227854
4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
CID 113412198
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide (CID 115611491) is N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCCC(C)(C)C)ccc1F.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide?
The InChIKey is WUDXOGXQPBDQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-9-11(5-6-12(10)15)13(17)16-8-7-14(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,17).
What are the key properties of N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide?
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide has a molecular weight of 237.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 115611491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).