N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide

C14H16F4N2O — CID 81486981

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(CN)(NC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H16F4N2O/c1-13(7-19,9-3-4-9)20-12(21)8-2-5-11(15)10(6-8)14(16,17)18/h2,5-6,9H,3-4,7,19H2,1H3,(H,20,21)
InChIKeyBESWUSMTDDGIBW-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.70
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 81486981) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID81486981
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(CN)(NC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H16F4N2O/c1-13(7-19,9-3-4-9)20-12(21)8-2-5-11(15)10(6-8)14(16,17)18/h2,5-6,9H,3-4,7,19H2,1H3,(H,20,21)
InChIKeyBESWUSMTDDGIBW-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119575379
N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
CID 119524337
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107672234
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
CID 119574006
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 103895529
1-N-(1-amino-2-cyclopropylpropan-2-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119575007
N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide
CID 113265701
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide (CID 81486981) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide is CC(CN)(NC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is BESWUSMTDDGIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c1-13(7-19,9-3-4-9)20-12(21)8-2-5-11(15)10(6-8)14(16,17)18/h2,5-6,9H,3-4,7,19H2,1H3,(H,20,21).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 304.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 81486981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).