N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide

C13H18FNO — CID 79778554

IUPACN-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO/c1-5-10(3)15(4)13(16)11-7-6-9(2)8-12(11)14/h6-8,10H,5H2,1-4H3
InChIKeyFVNOFEAPWNZKOU-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.00
Rot. Bonds3

About N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide

N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide (PubChem CID 79778554) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
PubChem CID79778554
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO/c1-5-10(3)15(4)13(16)11-7-6-9(2)8-12(11)14/h6-8,10H,5H2,1-4H3
InChIKeyFVNOFEAPWNZKOU-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide
CID 79778285
N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 79776951
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 113251010
2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
CID 113355617
2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
N-tert-butyl-2-fluoro-N,4-dimethylbenzamide
CID 123320103
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
CID 79796018
N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
CID 79776952
2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
CID 62650764
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
1-(2-fluoro-4-methylphenyl)-2-methylpentan-1-one
CID 107891346

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide?
The IUPAC name of N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide (CID 79778554) is N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide.
What is the SMILES notation for N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide?
The canonical SMILES for N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide is CCC(C)N(C)C(=O)c1ccc(C)cc1F.
What is the InChIKey of N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide?
The InChIKey is FVNOFEAPWNZKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-5-10(3)15(4)13(16)11-7-6-9(2)8-12(11)14/h6-8,10H,5H2,1-4H3.
What are the key properties of N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide?
N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide has a molecular weight of 223.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide is sourced from PubChem (CID 79778554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).