N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C19H16F5NO2 — CID 134009995

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F5NO2/c20-18(21)27-12-7-5-11(6-8-12)10-25-17(26)15-9-14(15)13-3-1-2-4-16(13)19(22,23)24/h1-8,14-15,18H,9-10H2,(H,25,26)
InChIKeyULZPSEWEDJJLJU-UHFFFAOYSA-N
MW385.33 g/mol
LogP4.73
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 134009995) has the molecular formula C19H16F5NO2 and a molecular weight of 385.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID134009995
Molecular FormulaC19H16F5NO2
Molecular Weight385.33 g/mol
Exact Mass385.11
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F5NO2/c20-18(21)27-12-7-5-11(6-8-12)10-25-17(26)15-9-14(15)13-3-1-2-4-16(13)19(22,23)24/h1-8,14-15,18H,9-10H2,(H,25,26)
InChIKeyULZPSEWEDJJLJU-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-4-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]benzamide
CID 60516710
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55493076
N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 60520500
4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 129415418
trans-(1S,2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96999756
trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96559310
trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 98934794
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 64822466
methyl 6-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]hexanoate
CID 86914458
2-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102559952

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 134009995) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(NCc1ccc(OC(F)F)cc1)C1CC1c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ULZPSEWEDJJLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5NO2/c20-18(21)27-12-7-5-11(6-8-12)10-25-17(26)15-9-14(15)13-3-1-2-4-16(13)19(22,23)24/h1-8,14-15,18H,9-10H2,(H,25,26).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 385.33 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134009995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).