[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate

C19H16F3NO3 — CID 7863853

IUPAC[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate
SMILESO=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C1CC1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)14-7-4-8-15(11-14)23-17(24)16(12-5-2-1-3-6-12)26-18(25)13-9-10-13/h1-8,11,13,16H,9-10H2,(H,23,24)/t16-/m1/s1
InChIKeyCQPHEWOMUZHTTR-MRXNPFEDSA-N
MW363.34 g/mol
LogP4.34
Rot. Bonds5

About [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate

[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate (PubChem CID 7863853) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate
PubChem CID7863853
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate
SMILESO=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C1CC1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)14-7-4-8-15(11-14)23-17(24)16(12-5-2-1-3-6-12)26-18(25)13-9-10-13/h1-8,11,13,16H,9-10H2,(H,23,24)/t16-/m1/s1
InChIKeyCQPHEWOMUZHTTR-MRXNPFEDSA-N
XLogP4.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclohexanecarboxylate
CID 4168101
[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 7863182
[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2126354
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 42900734
[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 4-chlorobenzoate
CID 2360642
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] cyclobutanecarboxylate
CID 8019081
[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2,2-dimethylpropanoylamino)propanoate
CID 24631108
[(1S)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 2358089
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate
CID 9415903
[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate
CID 55556432
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] cyclopropanecarboxylate
CID 7863188

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate?
The IUPAC name of [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate (CID 7863853) is [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate.
What is the SMILES notation for [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate?
The canonical SMILES for [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate is O=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C1CC1.
What is the InChIKey of [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate?
The InChIKey is CQPHEWOMUZHTTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-19(21,22)14-7-4-8-15(11-14)23-17(24)16(12-5-2-1-3-6-12)26-18(25)13-9-10-13/h1-8,11,13,16H,9-10H2,(H,23,24)/t16-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate?
[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate has a molecular weight of 363.34 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate is sourced from PubChem (CID 7863853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).