2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide

C20H19ClF3NO2 — CID 55493076

IUPAC2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C20H19ClF3NO2/c21-18-4-2-1-3-15(18)16-9-17(16)19(26)25-10-13-5-7-14(8-6-13)11-27-12-20(22,23)24/h1-8,16-17H,9-12H2,(H,25,26)
InChIKeyGYRLJFNROFVNNT-UHFFFAOYSA-N
MW397.82 g/mol
LogP4.84
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 55493076) has the molecular formula C20H19ClF3NO2 and a molecular weight of 397.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID55493076
Molecular FormulaC20H19ClF3NO2
Molecular Weight397.82 g/mol
Exact Mass397.11
IUPAC Name2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C20H19ClF3NO2/c21-18-4-2-1-3-15(18)16-9-17(16)19(26)25-10-13-5-7-14(8-6-13)11-27-12-20(22,23)24/h1-8,16-17H,9-12H2,(H,25,26)
InChIKeyGYRLJFNROFVNNT-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-(2-chlorophenyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748329
2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 55613890
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009995
2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748466
N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55576532
2-(2-chlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide
CID 55507970
2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 134009951
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
2-(2-fluorophenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55712265

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 55493076) is 2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1ccc(COCC(F)(F)F)cc1)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is GYRLJFNROFVNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3NO2/c21-18-4-2-1-3-15(18)16-9-17(16)19(26)25-10-13-5-7-14(8-6-13)11-27-12-20(22,23)24/h1-8,16-17H,9-12H2,(H,25,26).
What are the key properties of 2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 397.82 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55493076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).