3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide

C13H15F3N2O2 — CID 116628580

IUPAC3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
SMILESCC(NC(=O)c1ccc(OC(F)(F)F)c(N)c1)C1CC1
InChIInChI=1S/C13H15F3N2O2/c1-7(8-2-3-8)18-12(19)9-4-5-11(10(17)6-9)20-13(14,15)16/h4-8H,2-3,17H2,1H3,(H,18,19)
InChIKeyFITPCUVQABUEOR-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.70
Rot. Bonds4

About 3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide

3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 116628580) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
PubChem CID116628580
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
SMILESCC(NC(=O)c1ccc(OC(F)(F)F)c(N)c1)C1CC1
InChIInChI=1S/C13H15F3N2O2/c1-7(8-2-3-8)18-12(19)9-4-5-11(10(17)6-9)20-13(14,15)16/h4-8H,2-3,17H2,1H3,(H,18,19)
InChIKeyFITPCUVQABUEOR-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628865
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
3-amino-N-(thian-4-yl)-4-(trifluoromethoxy)benzamide
CID 116629037
3-amino-N-(1-methylcyclopentyl)-4-(trifluoromethoxy)benzamide
CID 116628775
3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
CID 61094426
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568
3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628870
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
3-amino-N-(2-methylsulfanylpropyl)-4-(trifluoromethoxy)benzamide
CID 116628993
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide (CID 116628580) is 3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide is CC(NC(=O)c1ccc(OC(F)(F)F)c(N)c1)C1CC1.
What is the InChIKey of 3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is FITPCUVQABUEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-7(8-2-3-8)18-12(19)9-4-5-11(10(17)6-9)20-13(14,15)16/h4-8H,2-3,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide?
3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 288.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116628580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).