N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide

C18H16F3NO2 — CID 86997534

IUPACN-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(OCc2ccccc2C(F)(F)F)c1)C1CC1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)16-7-2-1-4-13(16)11-24-15-6-3-5-14(10-15)22-17(23)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,22,23)
InChIKeyZVVCRMKHLOZZNL-UHFFFAOYSA-N
MW335.32 g/mol
LogP4.63
Rot. Bonds5

About N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide

N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide (PubChem CID 86997534) has the molecular formula C18H16F3NO2 and a molecular weight of 335.32 g/mol. Its IUPAC name is N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
PubChem CID86997534
Molecular FormulaC18H16F3NO2
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC NameN-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(OCc2ccccc2C(F)(F)F)c1)C1CC1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)16-7-2-1-4-13(16)11-24-15-6-3-5-14(10-15)22-17(23)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,22,23)
InChIKeyZVVCRMKHLOZZNL-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 30011094
tert-butyl N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 156784847
2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 78885330
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 109416121
3-amino-N-[3-[(2-methylphenyl)methoxy]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119785191
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
CID 119785210
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30804525
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide (CID 86997534) is N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(OCc2ccccc2C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is ZVVCRMKHLOZZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)16-7-2-1-4-13(16)11-24-15-6-3-5-14(10-15)22-17(23)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,22,23).
What are the key properties of N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide?
N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 335.32 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 86997534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).