(Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride

C17H13Cl2F3N2 — CID 142127951

IUPAC(Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride
SMILESN/C(=C\C(Cl)=N\Cc1ccccc1C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C17H13Cl2F3N2/c18-14-8-4-2-6-12(14)15(23)9-16(19)24-10-11-5-1-3-7-13(11)17(20,21)22/h1-9H,10,23H2/b15-9-,24-16-
InChIKeyJQWRUBGWLCTKAE-XPSHBENGSA-N
MW373.21 g/mol
LogP5.50
Rot. Bonds4

About (Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride

(Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride (PubChem CID 142127951) has the molecular formula C17H13Cl2F3N2 and a molecular weight of 373.21 g/mol. Its IUPAC name is (Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride
PubChem CID142127951
Molecular FormulaC17H13Cl2F3N2
Molecular Weight373.21 g/mol
Exact Mass372.04
IUPAC Name(Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride
SMILESN/C(=C\C(Cl)=N\Cc1ccccc1C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C17H13Cl2F3N2/c18-14-8-4-2-6-12(14)15(23)9-16(19)24-10-11-5-1-3-7-13(11)17(20,21)22/h1-9H,10,23H2/b15-9-,24-16-
InChIKeyJQWRUBGWLCTKAE-XPSHBENGSA-N
XLogP5.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.21
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide
CID 63173633
N'-[[2-(trifluoromethyl)phenyl]methyl]butanimidamide
CID 63173587
2-chloro-N-[2-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl chloride
CID 149251698
2-amino-3-[2-(trifluoromethyl)phenyl]propane-1,1-diol
CID 135188548
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol
CID 135936259
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
bis[[2-(trifluoromethyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 91754080
2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 142465588
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
CID 51503951

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride?
The IUPAC name of (Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride (CID 142127951) is (Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride.
What is the SMILES notation for (Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride?
The canonical SMILES for (Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride is N/C(=C\C(Cl)=N\Cc1ccccc1C(F)(F)F)c1ccccc1Cl.
What is the InChIKey of (Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride?
The InChIKey is JQWRUBGWLCTKAE-XPSHBENGSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2/c18-14-8-4-2-6-12(14)15(23)9-16(19)24-10-11-5-1-3-7-13(11)17(20,21)22/h1-9H,10,23H2/b15-9-,24-16-.
What are the key properties of (Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride?
(Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride has a molecular weight of 373.21 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidoyl chloride is sourced from PubChem (CID 142127951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).