2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline

C17H13ClN2O — CID 833716

IUPAC2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
SMILESNc1ccccc1/N=C/c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H13ClN2O/c18-13-5-3-4-12(10-13)17-9-8-14(21-17)11-20-16-7-2-1-6-15(16)19/h1-11H,19H2/b20-11+
InChIKeyLDOJKHMAROWIRC-RGVLZGJSSA-N
MW296.76 g/mol
LogP4.93
Rot. Bonds3

About 2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline

2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline (PubChem CID 833716) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
PubChem CID833716
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
SMILESNc1ccccc1/N=C/c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H13ClN2O/c18-13-5-3-4-12(10-13)17-9-8-14(21-17)11-20-16-7-2-1-6-15(16)19/h1-11H,19H2/b20-11+
InChIKeyLDOJKHMAROWIRC-RGVLZGJSSA-N
XLogP4.93
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline?
The IUPAC name of 2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline (CID 833716) is 2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline?
The canonical SMILES for 2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline is Nc1ccccc1/N=C/c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline?
The InChIKey is LDOJKHMAROWIRC-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-13-5-3-4-12(10-13)17-9-8-14(21-17)11-20-16-7-2-1-6-15(16)19/h1-11H,19H2/b20-11+.
What are the key properties of 2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline?
2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline has a molecular weight of 296.76 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline is sourced from PubChem (CID 833716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).