N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide

C18H15ClF3N3 — CID 134217651

IUPACN-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide
SMILESN/C=N/C=N/c1ccc(/C=C/C(c2ccc(Cl)cc2)C(F)(F)F)cc1
InChIInChI=1S/C18H15ClF3N3/c19-15-6-4-14(5-7-15)17(18(20,21)22)10-3-13-1-8-16(9-2-13)25-12-24-11-23/h1-12,17H,(H2,23,24,25)/b10-3+
InChIKeyVKAOMALNPMCEFC-XCVCLJGOSA-N
MW365.79 g/mol
LogP5.35
Rot. Bonds5

About N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide

N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide (PubChem CID 134217651) has the molecular formula C18H15ClF3N3 and a molecular weight of 365.79 g/mol. Its IUPAC name is N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide.

Molecular Properties

Compound NameN-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide
PubChem CID134217651
Molecular FormulaC18H15ClF3N3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC NameN-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide
SMILESN/C=N/C=N/c1ccc(/C=C/C(c2ccc(Cl)cc2)C(F)(F)F)cc1
InChIInChI=1S/C18H15ClF3N3/c19-15-6-4-14(5-7-15)17(18(20,21)22)10-3-13-1-8-16(9-2-13)25-12-24-11-23/h1-12,17H,(H2,23,24,25)/b10-3+
InChIKeyVKAOMALNPMCEFC-XCVCLJGOSA-N
XLogP5.35
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.79
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide?
The IUPAC name of N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide (CID 134217651) is N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide.
What is the SMILES notation for N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide?
The canonical SMILES for N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide is N/C=N/C=N/c1ccc(/C=C/C(c2ccc(Cl)cc2)C(F)(F)F)cc1.
What is the InChIKey of N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide?
The InChIKey is VKAOMALNPMCEFC-XCVCLJGOSA-N. The full InChI is InChI=1S/C18H15ClF3N3/c19-15-6-4-14(5-7-15)17(18(20,21)22)10-3-13-1-8-16(9-2-13)25-12-24-11-23/h1-12,17H,(H2,23,24,25)/b10-3+.
What are the key properties of N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide?
N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide has a molecular weight of 365.79 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-N'-[4-[(E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanimidamide is sourced from PubChem (CID 134217651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).