trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide

C18H16F3NO2 — CID 30254146

IUPACtrans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)[C@@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H16F3NO2/c19-13-7-5-11(6-8-13)14-9-15(14)17(23)22-10-12-3-1-2-4-16(12)24-18(20)21/h1-8,14-15,18H,9-10H2,(H,22,23)/t14-,15+/m0/s1
InChIKeyGBMSODUECHVHAF-LSDHHAIUSA-N
MW335.33 g/mol
LogP3.85
Rot. Bonds6

About trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 30254146) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID30254146
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Nametrans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)[C@@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H16F3NO2/c19-13-7-5-11(6-8-13)14-9-15(14)17(23)22-10-12-3-1-2-4-16(12)24-18(20)21/h1-8,14-15,18H,9-10H2,(H,22,23)/t14-,15+/m0/s1
InChIKeyGBMSODUECHVHAF-LSDHHAIUSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700360
N-[[2-(difluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276984
1-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 47085091
(2R,3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920803
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702
2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 49491563
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
CID 107358541
2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 120947138
N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119700383

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 30254146) is trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCc1ccccc1OC(F)F)[C@@H]1C[C@H]1c1ccc(F)cc1.
What is the InChIKey of trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is GBMSODUECHVHAF-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-13-7-5-11(6-8-13)14-9-15(14)17(23)22-10-12-3-1-2-4-16(12)24-18(20)21/h1-8,14-15,18H,9-10H2,(H,22,23)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 30254146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).