2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide

C18H14F4N2O — CID 16719204

IUPAC2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccccc1C(F)(F)F)C1CC1c1cccc(F)c1
InChIInChI=1S/C18H14F4N2O/c19-13-6-3-5-11(8-13)14-9-15(14)17(25)24-23-10-12-4-1-2-7-16(12)18(20,21)22/h1-8,10,14-15H,9H2,(H,24,25)/b23-10+
InChIKeyUVFIZEQJPPVPOG-AUEPDCJTSA-N
MW350.32 g/mol
LogP4.10
Rot. Bonds4

About 2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide

2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide (PubChem CID 16719204) has the molecular formula C18H14F4N2O and a molecular weight of 350.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
PubChem CID16719204
Molecular FormulaC18H14F4N2O
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC Name2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccccc1C(F)(F)F)C1CC1c1cccc(F)c1
InChIInChI=1S/C18H14F4N2O/c19-13-6-3-5-11(8-13)14-9-15(14)17(25)24-23-10-12-4-1-2-7-16(12)18(20,21)22/h1-8,10,14-15H,9H2,(H,24,25)/b23-10+
InChIKeyUVFIZEQJPPVPOG-AUEPDCJTSA-N
XLogP4.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
CID 16719251
trans-(1R,2R)-2-phenyl-N-[[8-(trifluoromethyl)quinolin-6-yl]methylideneamino]cyclopropane-1-carboxamide
CID 66954273
N-(naphthalen-1-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 4154007
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 5411900
trans-(1R,2R)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135688132
trans-(1R,2R)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5392525
2-(4-tert-butylphenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 6030425
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(2-fluorophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 40531830
2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide
CID 3594985
trans-(1S,2S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5394841
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
1-(1-adamantyl)-3-[[2-(trifluoromethyl)phenyl]methylideneamino]urea
CID 4247069

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide (CID 16719204) is 2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide is O=C(N/N=C/c1ccccc1C(F)(F)F)C1CC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
The InChIKey is UVFIZEQJPPVPOG-AUEPDCJTSA-N. The full InChI is InChI=1S/C18H14F4N2O/c19-13-6-3-5-11(8-13)14-9-15(14)17(25)24-23-10-12-4-1-2-7-16(12)18(20,21)22/h1-8,10,14-15H,9H2,(H,24,25)/b23-10+.
What are the key properties of 2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide has a molecular weight of 350.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 16719204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).