N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide

C14H15F3N2O2 — CID 4882503

IUPACN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CC1
InChIInChI=1S/C14H15F3N2O2/c1-19(13(21)9-6-7-9)8-12(20)18-11-5-3-2-4-10(11)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,20)
InChIKeyRTPWWOPFXFREON-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.51
Rot. Bonds4

About N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide

N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide (PubChem CID 4882503) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide
PubChem CID4882503
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CC1
InChIInChI=1S/C14H15F3N2O2/c1-19(13(21)9-6-7-9)8-12(20)18-11-5-3-2-4-10(11)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,20)
InChIKeyRTPWWOPFXFREON-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide (CID 4882503) is N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CC1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide?
The InChIKey is RTPWWOPFXFREON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-19(13(21)9-6-7-9)8-12(20)18-11-5-3-2-4-10(11)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,20).
What are the key properties of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide?
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide has a molecular weight of 300.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 4882503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).