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

C18H13Cl3N2O — CID 50886039

IUPAC3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline
SMILESCc1ccc(NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl
InChIInChI=1S/C18H13Cl3N2O/c1-11-5-6-12(9-16(11)20)23-22-10-13-7-8-17(24-13)14-3-2-4-15(19)18(14)21/h2-10,23H,1H3
InChIKeyAXDMZGBFXNUVHN-UHFFFAOYSA-N
MW379.67 g/mol
LogP6.66
Rot. Bonds4

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

3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline (PubChem CID 50886039) has the molecular formula C18H13Cl3N2O and a molecular weight of 379.67 g/mol. Its IUPAC name is 3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline
PubChem CID50886039
Molecular FormulaC18H13Cl3N2O
Molecular Weight379.67 g/mol
Exact Mass378.01
IUPAC Name3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline
SMILESCc1ccc(NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl
InChIInChI=1S/C18H13Cl3N2O/c1-11-5-6-12(9-16(11)20)23-22-10-13-7-8-17(24-13)14-3-2-4-15(19)18(14)21/h2-10,23H,1H3
InChIKeyAXDMZGBFXNUVHN-UHFFFAOYSA-N
XLogP6.66
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 56.66
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-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50886197
4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50886171
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060910
methyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9075577
ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9076133
5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid
CID 126223635
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180867
5-[(2E)-2-[[5-(3-carboxy-4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-methylbenzoic acid
CID 58586325
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6862986
N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 1095081
[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino] acetate
CID 91674094
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline?
The IUPAC name of 3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline (CID 50886039) is 3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline is Cc1ccc(NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl.
What is the InChIKey of 3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline?
The InChIKey is AXDMZGBFXNUVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O/c1-11-5-6-12(9-16(11)20)23-22-10-13-7-8-17(24-13)14-3-2-4-15(19)18(14)21/h2-10,23H,1H3.
What are the key properties of 3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline?
3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline has a molecular weight of 379.67 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline is sourced from PubChem (CID 50886039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).