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

C18H14ClF3N2O — CID 16719292

IUPAC2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc(C(F)(F)F)cc1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF3N2O/c19-14-7-3-12(4-8-14)15-9-16(15)17(25)24-23-10-11-1-5-13(6-2-11)18(20,21)22/h1-8,10,15-16H,9H2,(H,24,25)/b23-10+
InChIKeyMUHOJUSVFXXTQT-AUEPDCJTSA-N
MW366.77 g/mol
LogP4.61
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide (PubChem CID 16719292) has the molecular formula C18H14ClF3N2O and a molecular weight of 366.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
PubChem CID16719292
Molecular FormulaC18H14ClF3N2O
Molecular Weight366.77 g/mol
Exact Mass366.07
IUPAC Name2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
SMILESO=C(N/N=C/c1ccc(C(F)(F)F)cc1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF3N2O/c19-14-7-3-12(4-8-14)15-9-16(15)17(25)24-23-10-11-1-5-13(6-2-11)18(20,21)22/h1-8,10,15-16H,9H2,(H,24,25)/b23-10+
InChIKeyMUHOJUSVFXXTQT-AUEPDCJTSA-N
XLogP4.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 54.61
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
2-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
CID 73309421
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
cis-(1R,2S)-2-(4-tert-butylphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 51418117
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 51664900
4-[(Z)-[[(1S,2R)-2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]benzoic acid
CID 7334331
4-[[[(1R,2S)-2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]benzoate
CID 7259971
[4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3112310
2-(4-tert-butylphenyl)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 135647151
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 5411900
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide (CID 16719292) is 2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide is O=C(N/N=C/c1ccc(C(F)(F)F)cc1)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
The InChIKey is MUHOJUSVFXXTQT-AUEPDCJTSA-N. The full InChI is InChI=1S/C18H14ClF3N2O/c19-14-7-3-12(4-8-14)15-9-16(15)17(25)24-23-10-11-1-5-13(6-2-11)18(20,21)22/h1-8,10,15-16H,9H2,(H,24,25)/b23-10+.
What are the key properties of 2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide has a molecular weight of 366.77 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 16719292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).