trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide

C15H15Cl2FN2O — CID 6542599

IUPACtrans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)[C@H](C(=O)N/N=C\c2ccccc2F)[C@@H]1C=C(Cl)Cl
InChIInChI=1S/C15H15Cl2FN2O/c1-15(2)10(7-12(16)17)13(15)14(21)20-19-8-9-5-3-4-6-11(9)18/h3-8,10,13H,1-2H3,(H,20,21)/b19-8-/t10-,13-/m0/s1
InChIKeyFKTAOUGCEILMEG-JVGRSCSNSA-N
MW329.20 g/mol
LogP3.87
Rot. Bonds4

About trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide

trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 6542599) has the molecular formula C15H15Cl2FN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID6542599
Molecular FormulaC15H15Cl2FN2O
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Nametrans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)[C@H](C(=O)N/N=C\c2ccccc2F)[C@@H]1C=C(Cl)Cl
InChIInChI=1S/C15H15Cl2FN2O/c1-15(2)10(7-12(16)17)13(15)14(21)20-19-8-9-5-3-4-6-11(9)18/h3-8,10,13H,1-2H3,(H,20,21)/b19-8-/t10-,13-/m0/s1
InChIKeyFKTAOUGCEILMEG-JVGRSCSNSA-N
XLogP3.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.87
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

cis-(1S,3R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 136861789
3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide
CID 171981307
trans-(1S,3S)-3-(2,2-dichloroethenyl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide
CID 136714341
cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 677652
(3S,4R)-N-[(2-fluorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 869612
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
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553
N-[(E)-(2-fluorophenyl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 46495519
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide (CID 6542599) is trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)[C@H](C(=O)N/N=C\c2ccccc2F)[C@@H]1C=C(Cl)Cl.
What is the InChIKey of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is FKTAOUGCEILMEG-JVGRSCSNSA-N. The full InChI is InChI=1S/C15H15Cl2FN2O/c1-15(2)10(7-12(16)17)13(15)14(21)20-19-8-9-5-3-4-6-11(9)18/h3-8,10,13H,1-2H3,(H,20,21)/b19-8-/t10-,13-/m0/s1.
What are the key properties of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide?
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 329.20 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 6542599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).