2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide

C19H14ClF3N2O2 — CID 55711014

IUPAC2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide
SMILESN#Cc1cc(NC(=O)C2CC2c2ccccc2Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C19H14ClF3N2O2/c20-16-4-2-1-3-13(16)14-8-15(14)18(26)25-12-5-6-17(11(7-12)9-24)27-10-19(21,22)23/h1-7,14-15H,8,10H2,(H,25,26)
InChIKeyORFRLLSPSAOZKY-UHFFFAOYSA-N
MW394.78 g/mol
LogP4.89
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 55711014) has the molecular formula C19H14ClF3N2O2 and a molecular weight of 394.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID55711014
Molecular FormulaC19H14ClF3N2O2
Molecular Weight394.78 g/mol
Exact Mass394.07
IUPAC Name2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide
SMILESN#Cc1cc(NC(=O)C2CC2c2ccccc2Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C19H14ClF3N2O2/c20-16-4-2-1-3-13(16)14-8-15(14)18(26)25-12-5-6-17(11(7-12)9-24)27-10-19(21,22)23/h1-7,14-15H,8,10H2,(H,25,26)
InChIKeyORFRLLSPSAOZKY-UHFFFAOYSA-N
XLogP4.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide (CID 55711014) is 2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide is N#Cc1cc(NC(=O)C2CC2c2ccccc2Cl)ccc1OCC(F)(F)F.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ORFRLLSPSAOZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2/c20-16-4-2-1-3-13(16)14-8-15(14)18(26)25-12-5-6-17(11(7-12)9-24)27-10-19(21,22)23/h1-7,14-15H,8,10H2,(H,25,26).
What are the key properties of 2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 394.78 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55711014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).