N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C17H10Cl2F3N3O — CID 126109835

IUPACN-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)nc1
InChIInChI=1S/C17H10Cl2F3N3O/c18-11-2-4-13(14(19)7-11)15-5-3-12(26-15)9-24-25-16-6-1-10(8-23-16)17(20,21)22/h1-9H,(H,23,25)/b24-9+
InChIKeyWUMPUEPNHLZCAK-PGGKNCGUSA-N
MW400.19 g/mol
LogP6.11
Rot. Bonds4

About N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 126109835) has the molecular formula C17H10Cl2F3N3O and a molecular weight of 400.19 g/mol. Its IUPAC name is N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID126109835
Molecular FormulaC17H10Cl2F3N3O
Molecular Weight400.19 g/mol
Exact Mass399.02
IUPAC NameN-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)nc1
InChIInChI=1S/C17H10Cl2F3N3O/c18-11-2-4-13(14(19)7-11)15-5-3-12(26-15)9-24-25-16-6-1-10(8-23-16)17(20,21)22/h1-9H,(H,23,25)/b24-9+
InChIKeyWUMPUEPNHLZCAK-PGGKNCGUSA-N
XLogP6.11
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.19
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126090826
N-[(Z)-[5-(2,4-dichloro-5-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126115191
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6162877
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608
N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 73428568
N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126082411
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410895
2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 2781657
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 50864991
(E)-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17111307

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 126109835) is N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)nc1.
What is the InChIKey of N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WUMPUEPNHLZCAK-PGGKNCGUSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3O/c18-11-2-4-13(14(19)7-11)15-5-3-12(26-15)9-24-25-16-6-1-10(8-23-16)17(20,21)22/h1-9H,(H,23,25)/b24-9+.
What are the key properties of N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 400.19 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 126109835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).