2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide

C18H14F4N2O — CID 73309421

IUPAC2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
SMILESO=C(NN=Cc1ccc(C(F)(F)F)cc1)C1CC1c1ccccc1F
InChIInChI=1S/C18H14F4N2O/c19-16-4-2-1-3-13(16)14-9-15(14)17(25)24-23-10-11-5-7-12(8-6-11)18(20,21)22/h1-8,10,14-15H,9H2,(H,24,25)
InChIKeyAENUPDCCHVBZCQ-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.10
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide

2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide (PubChem CID 73309421) has the molecular formula C18H14F4N2O and a molecular weight of 350.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
PubChem CID73309421
Molecular FormulaC18H14F4N2O
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC Name2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
SMILESO=C(NN=Cc1ccc(C(F)(F)F)cc1)C1CC1c1ccccc1F
InChIInChI=1S/C18H14F4N2O/c19-16-4-2-1-3-13(16)14-9-15(14)17(25)24-23-10-11-5-7-12(8-6-11)18(20,21)22/h1-8,10,14-15H,9H2,(H,24,25)
InChIKeyAENUPDCCHVBZCQ-UHFFFAOYSA-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-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
CID 16719292
2-(3-fluorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
CID 16719251
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(2-fluorophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 40531830
2-(4-tert-butylphenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 6030425
trans-(1R,2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6552897
cis-(1R,2S)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6975061
cis-(1R,2S)-N-[(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 129440063
trans-(1S,2S)-2-phenyl-N-(pyridin-4-ylmethylideneamino)cyclopropane-1-carboxamide
CID 129359921
cis-(1R,2S)-2-(4-tert-butylphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 51418117
1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
CID 131985079
4-[(Z)-[[(1S,2R)-2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]benzoic acid
CID 7334331
cis-(1S,2R)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40573329

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide (CID 73309421) is 2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide is O=C(NN=Cc1ccc(C(F)(F)F)cc1)C1CC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
The InChIKey is AENUPDCCHVBZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O/c19-16-4-2-1-3-13(16)14-9-15(14)17(25)24-23-10-11-5-7-12(8-6-11)18(20,21)22/h1-8,10,14-15H,9H2,(H,24,25).
What are the key properties of 2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
2-(2-fluorophenyl)-N-[[4-(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-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 73309421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).