N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide

C21H22F3NO2 — CID 141371737

IUPACN-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1ccccc1OC)C(=O)C1CC1
InChIInChI=1S/C21H22F3NO2/c1-3-25(20(26)14-8-9-14)13-15-12-16(21(22,23)24)10-11-17(15)18-6-4-5-7-19(18)27-2/h4-7,10-12,14H,3,8-9,13H2,1-2H3
InChIKeyRUPQJHGOZGSCIT-UHFFFAOYSA-N
MW377.41 g/mol
LogP5.14
Rot. Bonds6

About N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide

N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide (PubChem CID 141371737) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
PubChem CID141371737
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1ccccc1OC)C(=O)C1CC1
InChIInChI=1S/C21H22F3NO2/c1-3-25(20(26)14-8-9-14)13-15-12-16(21(22,23)24)10-11-17(15)18-6-4-5-7-19(18)27-2/h4-7,10-12,14H,3,8-9,13H2,1-2H3
InChIKeyRUPQJHGOZGSCIT-UHFFFAOYSA-N
XLogP5.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetate
CID 123753049
2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]acetic acid
CID 45138482
N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
CID 54673873
ethyl 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66605234
(2R)-2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-5-methoxyphenyl]propanoic acid
CID 118619846
methyl 2-[3-chloro-5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66607932
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-fluoroindol-1-yl]acetic acid
CID 71223470
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-5-fluoroindazol-1-yl]acetic acid
CID 71222559
ethyl 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-4-methoxy-5-(trifluoromethyl)phenyl]acetate
CID 68639860
2-[7-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methylpyrrolo[1,2-b]pyridazin-5-yl]acetic acid
CID 71226099
ethyl 2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-6-(trifluoromethylsulfanyloxy)-3-pyridinyl]acetate
CID 143966231
2-[7-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrrolo[1,2-c]pyrimidin-5-yl]acetic acid
CID 71222500

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide (CID 141371737) is N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide is CCN(Cc1cc(C(F)(F)F)ccc1-c1ccccc1OC)C(=O)C1CC1.
What is the InChIKey of N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is RUPQJHGOZGSCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2/c1-3-25(20(26)14-8-9-14)13-15-12-16(21(22,23)24)10-11-17(15)18-6-4-5-7-19(18)27-2/h4-7,10-12,14H,3,8-9,13H2,1-2H3.
What are the key properties of N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 377.41 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 141371737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).