4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide

C12H15F3N2O — CID 165486423

IUPAC4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C(N)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-7(2)17-11(18)9-5-3-8(4-6-9)10(16)12(13,14)15/h3-7,10H,16H2,1-2H3,(H,17,18)
InChIKeyGAYURCFVUJOANX-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.39
Rot. Bonds3

About 4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide

4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide (PubChem CID 165486423) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide
PubChem CID165486423
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C(N)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-7(2)17-11(18)9-5-3-8(4-6-9)10(16)12(13,14)15/h3-7,10H,16H2,1-2H3,(H,17,18)
InChIKeyGAYURCFVUJOANX-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone
CID 158988709
4-(2-aminopropyl)-N-propan-2-ylbenzamide
CID 170891728
4-chloro-N-propan-2-ylbenzamide
CID 24045
[4-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl] acetate;hydrochloride
CID 171242944
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-propan-2-ylbenzamide
CID 61179042
methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 59786000
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 138667689
methanol;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 143623617
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide (CID 165486423) is 4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(C(N)C(F)(F)F)cc1.
What is the InChIKey of 4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide?
The InChIKey is GAYURCFVUJOANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-7(2)17-11(18)9-5-3-8(4-6-9)10(16)12(13,14)15/h3-7,10H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide?
4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide has a molecular weight of 260.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2,2,2-trifluoroethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 165486423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).