N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C22H20ClF3N2O3 — CID 55781986

IUPACN-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2c2ccccc2Cl)c(C(F)(F)F)c1)C1CCCO1
InChIInChI=1S/C22H20ClF3N2O3/c23-17-5-2-1-4-13(17)14-11-15(14)20(29)28-18-8-7-12(10-16(18)22(24,25)26)27-21(30)19-6-3-9-31-19/h1-2,4-5,7-8,10,14-15,19H,3,6,9,11H2,(H,27,30)(H,28,29)
InChIKeySURFSLMTRLBQBF-UHFFFAOYSA-N
MW452.86 g/mol
LogP5.22
Rot. Bonds5

About N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 55781986) has the molecular formula C22H20ClF3N2O3 and a molecular weight of 452.86 g/mol. Its IUPAC name is N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID55781986
Molecular FormulaC22H20ClF3N2O3
Molecular Weight452.86 g/mol
Exact Mass452.11
IUPAC NameN-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2c2ccccc2Cl)c(C(F)(F)F)c1)C1CCCO1
InChIInChI=1S/C22H20ClF3N2O3/c23-17-5-2-1-4-13(17)14-11-15(14)20(29)28-18-8-7-12(10-16(18)22(24,25)26)27-21(30)19-6-3-9-31-19/h1-2,4-5,7-8,10,14-15,19H,3,6,9,11H2,(H,27,30)(H,28,29)
InChIKeySURFSLMTRLBQBF-UHFFFAOYSA-N
XLogP5.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.86
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781955
N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781980
N-[4-[(4-chloro-3-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782239
(2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 99782579
N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781948
N-[4-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782086
N-[4-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886392
2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide
CID 55711014
N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 55782053
N-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55476894
(2R)-N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 51958687
N-[4-[[3-(cyanomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886992

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 55781986) is N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2c2ccccc2Cl)c(C(F)(F)F)c1)C1CCCO1.
What is the InChIKey of N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is SURFSLMTRLBQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O3/c23-17-5-2-1-4-13(17)14-11-15(14)20(29)28-18-8-7-12(10-16(18)22(24,25)26)27-21(30)19-6-3-9-31-19/h1-2,4-5,7-8,10,14-15,19H,3,6,9,11H2,(H,27,30)(H,28,29).
What are the key properties of N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 452.86 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55781986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).