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

C17H11BrCl2N2O — CID 50886171

IUPAC4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
SMILESClc1cccc(-c2ccc(C=NNc3ccc(Br)cc3)o2)c1Cl
InChIInChI=1S/C17H11BrCl2N2O/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
InChIKeyUQSQYTXAOXFONA-UHFFFAOYSA-N
MW410.10 g/mol
LogP6.46
Rot. Bonds4

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

4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline (PubChem CID 50886171) has the molecular formula C17H11BrCl2N2O and a molecular weight of 410.10 g/mol. Its IUPAC name is 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline.

Molecular Properties

Compound Name4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
PubChem CID50886171
Molecular FormulaC17H11BrCl2N2O
Molecular Weight410.10 g/mol
Exact Mass407.94
IUPAC Name4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
SMILESClc1cccc(-c2ccc(C=NNc3ccc(Br)cc3)o2)c1Cl
InChIInChI=1S/C17H11BrCl2N2O/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
InChIKeyUQSQYTXAOXFONA-UHFFFAOYSA-N
XLogP6.46
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.10
LogP ≤ 56.46
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
3-chloro-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-methylaniline
CID 50886039
4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 2246358
4-bromo-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 3331833
5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-7-iodo-1-benzofuran-2-carboxamide
CID 126020919
methyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9075577
5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 51042923
ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9076133
5-bromo-2-[(2E)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid
CID 22306627
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
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 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline?
The IUPAC name of 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline (CID 50886171) is 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline.
What is the SMILES notation for 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline?
The canonical SMILES for 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline is Clc1cccc(-c2ccc(C=NNc3ccc(Br)cc3)o2)c1Cl.
What is the InChIKey of 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline?
The InChIKey is UQSQYTXAOXFONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2O/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-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline?
4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline has a molecular weight of 410.10 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline is sourced from PubChem (CID 50886171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).