3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline

C17H14Cl2N2 — CID 165343790

IUPAC3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline
SMILESClc1cccc(/N=C/C=CC=CNc2cccc(Cl)c2)c1
InChIInChI=1S/C17H14Cl2N2/c18-14-6-4-8-16(12-14)20-10-2-1-3-11-21-17-9-5-7-15(19)13-17/h1-13,20H/b3-1?,10-2?,21-11+
InChIKeyWWFWJFLQSDOYRP-SIKOGCHYSA-N
MW317.22 g/mol
LogP5.88
Rot. Bonds5

About 3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline

3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline (PubChem CID 165343790) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline
PubChem CID165343790
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline
SMILESClc1cccc(/N=C/C=CC=CNc2cccc(Cl)c2)c1
InChIInChI=1S/C17H14Cl2N2/c18-14-6-4-8-16(12-14)20-10-2-1-3-11-21-17-9-5-7-15(19)13-17/h1-13,20H/b3-1?,10-2?,21-11+
InChIKeyWWFWJFLQSDOYRP-SIKOGCHYSA-N
XLogP5.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydron;N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride
CID 174144711
(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine
CID 6247301
N'-(3-chlorophenyl)-N-hydroxymethanimidamide
CID 20763326
(3-chlorophenyl)hydrazine;dihydrochloride
CID 53402731
N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine
CID 21130230
(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 18531911
N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide
CID 131233186
N-(3-chlorophenyl)thiohydroxylamine
CID 154305883
(Z)-3-(3-chloroanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 20786873
(Z)-3-(3-chloroanilino)-1-(3-methylphenyl)prop-2-en-1-one
CID 18531505
(Z)-3-(3-chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 98392202
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline?
The IUPAC name of 3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline (CID 165343790) is 3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline.
What is the SMILES notation for 3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline?
The canonical SMILES for 3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline is Clc1cccc(/N=C/C=CC=CNc2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline?
The InChIKey is WWFWJFLQSDOYRP-SIKOGCHYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c18-14-6-4-8-16(12-14)20-10-2-1-3-11-21-17-9-5-7-15(19)13-17/h1-13,20H/b3-1?,10-2?,21-11+.
What are the key properties of 3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline?
3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline has a molecular weight of 317.22 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline is sourced from PubChem (CID 165343790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).