N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide

C13H15F4NO — CID 138963598

IUPACN-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)(C)NC(=O)c1cc(F)ccc1CC(F)(F)F
InChIInChI=1S/C13H15F4NO/c1-12(2,3)18-11(19)10-6-9(14)5-4-8(10)7-13(15,16)17/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyGGPINYITGCYSHM-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.46
Rot. Bonds2

About N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide

N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide (PubChem CID 138963598) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide
PubChem CID138963598
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC NameN-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)(C)NC(=O)c1cc(F)ccc1CC(F)(F)F
InChIInChI=1S/C13H15F4NO/c1-12(2,3)18-11(19)10-6-9(14)5-4-8(10)7-13(15,16)17/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyGGPINYITGCYSHM-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-tert-butyl-5-fluorobenzamide
CID 43132548
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
N-tert-butyl-6-fluoro-2-oxochromene-3-carboxamide
CID 110486861
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
2-[(2,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 79793272
3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 115298547
2-[3-amino-4-[5-fluoro-2-(trifluoromethyl)phenyl]-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 72565307
3-[(2-bromo-5-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672122
2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 61262982
N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
CID 114308135
2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106179911
2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-5-methylbenzamide
CID 69131710

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide (CID 138963598) is N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide is CC(C)(C)NC(=O)c1cc(F)ccc1CC(F)(F)F.
What is the InChIKey of N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is GGPINYITGCYSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-12(2,3)18-11(19)10-6-9(14)5-4-8(10)7-13(15,16)17/h4-6H,7H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide?
N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 277.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 138963598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).