2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide

C13H15F4NO — CID 18712129

IUPAC2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
SMILESCC(C)C(C)NC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H15F4NO/c1-7(2)8(3)18-12(19)10-6-9(13(15,16)17)4-5-11(10)14/h4-8H,1-3H3,(H,18,19)
InChIKeyMBDGXQSIKCGEAX-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.62
Rot. Bonds3

About 2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide

2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide (PubChem CID 18712129) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
PubChem CID18712129
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
SMILESCC(C)C(C)NC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H15F4NO/c1-7(2)8(3)18-12(19)10-6-9(13(15,16)17)4-5-11(10)14/h4-8H,1-3H3,(H,18,19)
InChIKeyMBDGXQSIKCGEAX-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(1-iodo-3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 107859943
(2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid
CID 119363874
N-(4-ethylsulfanylbutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 115697220
2-fluoro-N-(1-methylsulfanylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 115900410
2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide
CID 115767171
(2S)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-hydroxybutanoic acid
CID 107821699
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 106183145
N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
N-(4-chloro-2-methylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 114306055
5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 25444134
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-1-one
CID 18795518
2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide (CID 18712129) is 2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide is CC(C)C(C)NC(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is MBDGXQSIKCGEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-7(2)8(3)18-12(19)10-6-9(13(15,16)17)4-5-11(10)14/h4-8H,1-3H3,(H,18,19).
What are the key properties of 2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide?
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 277.26 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 18712129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).