2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide

C13H15F4NO2 — CID 79885627

IUPAC2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCC(COC)NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H15F4NO2/c1-3-8(7-20-2)18-12(19)9-5-4-6-10(11(9)14)13(15,16)17/h4-6,8H,3,7H2,1-2H3,(H,18,19)
InChIKeyWSCYOGBLCGZBMO-UHFFFAOYSA-N
MW293.26 g/mol
LogP3.00
Rot. Bonds5

About 2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide

2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 79885627) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is 2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID79885627
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC Name2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCC(COC)NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H15F4NO2/c1-3-8(7-20-2)18-12(19)9-5-4-6-10(11(9)14)13(15,16)17/h4-6,8H,3,7H2,1-2H3,(H,18,19)
InChIKeyWSCYOGBLCGZBMO-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3613944
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106183792
N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106180175
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
undecyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]-3-methylbutanoate
CID 91739550
2-(2-methoxyethoxy)ethyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 115682836
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 71976318
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide
CID 62651047
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide (CID 79885627) is 2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide is CCC(COC)NC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is WSCYOGBLCGZBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2/c1-3-8(7-20-2)18-12(19)9-5-4-6-10(11(9)14)13(15,16)17/h4-6,8H,3,7H2,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide?
2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 293.26 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79885627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).