2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide

C13H15F3N2O — CID 110478898

IUPAC2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESCC(N)C(=O)NC1(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O/c1-8(17)11(19)18-12(6-7-12)9-4-2-3-5-10(9)13(14,15)16/h2-5,8H,6-7,17H2,1H3,(H,18,19)
InChIKeyWQKRKUBYCFQEDS-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.16
Rot. Bonds3

About 2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide

2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (PubChem CID 110478898) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
PubChem CID110478898
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESCC(N)C(=O)NC1(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O/c1-8(17)11(19)18-12(6-7-12)9-4-2-3-5-10(9)13(14,15)16/h2-5,8H,6-7,17H2,1H3,(H,18,19)
InChIKeyWQKRKUBYCFQEDS-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The IUPAC name of 2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (CID 110478898) is 2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.
What is the SMILES notation for 2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The canonical SMILES for 2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is CC(N)C(=O)NC1(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The InChIKey is WQKRKUBYCFQEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-8(17)11(19)18-12(6-7-12)9-4-2-3-5-10(9)13(14,15)16/h2-5,8H,6-7,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide has a molecular weight of 272.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is sourced from PubChem (CID 110478898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).