4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline

C17H11Cl3N2O — CID 50886197

IUPAC4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
SMILESClc1ccc(NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C17H11Cl3N2O/c18-11-4-6-12(7-5-11)22-21-10-13-8-9-16(23-13)14-2-1-3-15(19)17(14)20/h1-10,22H
InChIKeyYOYVOPPUUUMBMP-UHFFFAOYSA-N
MW365.65 g/mol
LogP6.35
Rot. Bonds4

About 4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline

4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline (PubChem CID 50886197) has the molecular formula C17H11Cl3N2O and a molecular weight of 365.65 g/mol. Its IUPAC name is 4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
PubChem CID50886197
Molecular FormulaC17H11Cl3N2O
Molecular Weight365.65 g/mol
Exact Mass363.99
IUPAC Name4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
SMILESClc1ccc(NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C17H11Cl3N2O/c18-11-4-6-12(7-5-11)22-21-10-13-8-9-16(23-13)14-2-1-3-15(19)17(14)20/h1-10,22H
InChIKeyYOYVOPPUUUMBMP-UHFFFAOYSA-N
XLogP6.35
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 56.35
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

4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50886171
3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline
CID 50886039
methyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9075577
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208900
4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 2246358
ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9076133
2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5215575
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060910
N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 1095081
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608
2-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6242628
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180867

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline (CID 50886197) is 4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline is Clc1ccc(NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1.
What is the InChIKey of 4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline?
The InChIKey is YOYVOPPUUUMBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O/c18-11-4-6-12(7-5-11)22-21-10-13-8-9-16(23-13)14-2-1-3-15(19)17(14)20/h1-10,22H.
What are the key properties of 4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline?
4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline has a molecular weight of 365.65 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline is sourced from PubChem (CID 50886197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).