N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide

C18H16F3NO2 — CID 60522254

IUPACN-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)C1CC1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)14-5-1-12(2-6-14)11-24-16-9-7-15(8-10-16)22-17(23)13-3-4-13/h1-2,5-10,13H,3-4,11H2,(H,22,23)
InChIKeyIHLWVPPPWIGUPI-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.63
Rot. Bonds5

About N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide

N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide (PubChem CID 60522254) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
PubChem CID60522254
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)C1CC1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)14-5-1-12(2-6-14)11-24-16-9-7-15(8-10-16)22-17(23)13-3-4-13/h1-2,5-10,13H,3-4,11H2,(H,22,23)
InChIKeyIHLWVPPPWIGUPI-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 ≤ 500335.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
1-(4-phenylmethoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3514022
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
CID 146593712
1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007799
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
[4-(cyclohexanecarbonylamino)phenyl] 4-(trifluoromethyl)benzenesulfonate
CID 155532639
N-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431383
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
tert-butyl 4-[4-[[4-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]imidazole-1-carboxylate
CID 167473977
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide (CID 60522254) is N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)C1CC1.
What is the InChIKey of N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is IHLWVPPPWIGUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)14-5-1-12(2-6-14)11-24-16-9-7-15(8-10-16)22-17(23)13-3-4-13/h1-2,5-10,13H,3-4,11H2,(H,22,23).
What are the key properties of N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide?
N-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 335.33 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-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 60522254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).