2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline

C17H10Cl4N2O — CID 50887505

IUPAC2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
SMILESClc1cccc(-c2ccc(/C=N/Nc3c(Cl)cc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C17H10Cl4N2O/c18-11-3-1-2-10(6-11)16-5-4-13(24-16)9-22-23-17-14(20)7-12(19)8-15(17)21/h1-9,23H/b22-9+
InChIKeyDPZFTPHNYXBNBN-LSFURLLWSA-N
MW400.09 g/mol
LogP7.01
Rot. Bonds4

About 2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline

2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline (PubChem CID 50887505) has the molecular formula C17H10Cl4N2O and a molecular weight of 400.09 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
PubChem CID50887505
Molecular FormulaC17H10Cl4N2O
Molecular Weight400.09 g/mol
Exact Mass397.95
IUPAC Name2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
SMILESClc1cccc(-c2ccc(/C=N/Nc3c(Cl)cc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C17H10Cl4N2O/c18-11-3-1-2-10(6-11)16-5-4-13(24-16)9-22-23-17-14(20)7-12(19)8-15(17)21/h1-9,23H/b22-9+
InChIKeyDPZFTPHNYXBNBN-LSFURLLWSA-N
XLogP7.01
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.09
LogP ≤ 57.01
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'}

Analyze 2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060006
4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide
CID 3765394
2,6-dichloro-N-[[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 2781657
2-phenylethyl 4-[5-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50885617
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
2,4,6-trichloro-N-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 50885633
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 3461046
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 53371400
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 95395767
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 94837463
N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 3825733

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline?
The IUPAC name of 2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline (CID 50887505) is 2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline is Clc1cccc(-c2ccc(/C=N/Nc3c(Cl)cc(Cl)cc3Cl)o2)c1.
What is the InChIKey of 2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline?
The InChIKey is DPZFTPHNYXBNBN-LSFURLLWSA-N. The full InChI is InChI=1S/C17H10Cl4N2O/c18-11-3-1-2-10(6-11)16-5-4-13(24-16)9-22-23-17-14(20)7-12(19)8-15(17)21/h1-9,23H/b22-9+.
What are the key properties of 2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline?
2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline has a molecular weight of 400.09 g/mol, XLogP of 7.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline is sourced from PubChem (CID 50887505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).