N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine

C18H13Cl3N2O — CID 19060006

IUPACN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
SMILESClc1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1
InChIInChI=1S/C18H13Cl3N2O/c19-13-4-1-3-12(9-13)18-8-7-14(24-18)10-22-23-11-15-16(20)5-2-6-17(15)21/h1-10,23H,11H2/b22-10+
InChIKeyJJXMUGSBRLHVML-LSHDLFTRSA-N
MW379.67 g/mol
LogP6.03
Rot. Bonds5

About N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine

N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine (PubChem CID 19060006) has the molecular formula C18H13Cl3N2O and a molecular weight of 379.67 g/mol. Its IUPAC name is N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
PubChem CID19060006
Molecular FormulaC18H13Cl3N2O
Molecular Weight379.67 g/mol
Exact Mass378.01
IUPAC NameN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
SMILESClc1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1
InChIInChI=1S/C18H13Cl3N2O/c19-13-4-1-3-12(9-13)18-8-7-14(24-18)10-22-23-11-15-16(20)5-2-6-17(15)21/h1-10,23H,11H2/b22-10+
InChIKeyJJXMUGSBRLHVML-LSHDLFTRSA-N
XLogP6.03
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50887505
ethyl 3-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzoate
CID 19060019
2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile
CID 19060025
1-(2,6-dichlorophenyl)-N-[(E)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]methanamine
CID 19060034
4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide
CID 3765394
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 26074510
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961
N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 3825733
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-methylanilino)acetamide
CID 1356875
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 3461046
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 95395767
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 53371400

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine?
The IUPAC name of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine (CID 19060006) is N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine.
What is the SMILES notation for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine?
The canonical SMILES for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine is Clc1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1.
What is the InChIKey of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine?
The InChIKey is JJXMUGSBRLHVML-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H13Cl3N2O/c19-13-4-1-3-12(9-13)18-8-7-14(24-18)10-22-23-11-15-16(20)5-2-6-17(15)21/h1-10,23H,11H2/b22-10+.
What are the key properties of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine?
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine has a molecular weight of 379.67 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine is sourced from PubChem (CID 19060006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).