N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide

C11H11F3N2O2 — CID 162470725

IUPACN-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
SMILESNc1c(NC(=O)C2CC2)cccc1OC(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)18-8-3-1-2-7(9(8)15)16-10(17)6-4-5-6/h1-3,6H,4-5,15H2,(H,16,17)
InChIKeyQWJKLMZPODTMLV-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.52
Rot. Bonds3

About N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide

N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide (PubChem CID 162470725) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
PubChem CID162470725
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC NameN-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
SMILESNc1c(NC(=O)C2CC2)cccc1OC(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)18-8-3-1-2-7(9(8)15)16-10(17)6-4-5-6/h1-3,6H,4-5,15H2,(H,16,17)
InChIKeyQWJKLMZPODTMLV-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.52
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

N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 78981617
1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 90513254
1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 35750813
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
3-(cyclohexanecarbonylamino)-4-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 69111521
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide
CID 64563962
1-(2-bromophenyl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46587243
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide (CID 162470725) is N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide is Nc1c(NC(=O)C2CC2)cccc1OC(F)(F)F.
What is the InChIKey of N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
The InChIKey is QWJKLMZPODTMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)18-8-3-1-2-7(9(8)15)16-10(17)6-4-5-6/h1-3,6H,4-5,15H2,(H,16,17).
What are the key properties of N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide?
N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide has a molecular weight of 260.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 162470725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).