3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline

C17H16Cl2N2 — CID 92529506

IUPAC3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline
SMILESCCC(/C=C\c1ccccc1)=N/Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2/c1-2-14(9-8-13-6-4-3-5-7-13)20-21-15-10-11-16(18)17(19)12-15/h3-12,21H,2H2,1H3/b9-8-,20-14-
InChIKeyLTTOUUHVKAYFKL-ZHBDLUIPSA-N
MW319.24 g/mol
LogP5.88
Rot. Bonds5

About 3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline

3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline (PubChem CID 92529506) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline
PubChem CID92529506
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline
SMILESCCC(/C=C\c1ccccc1)=N/Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2/c1-2-14(9-8-13-6-4-3-5-7-13)20-21-15-10-11-16(18)17(19)12-15/h3-12,21H,2H2,1H3/b9-8-,20-14-
InChIKeyLTTOUUHVKAYFKL-ZHBDLUIPSA-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 ≤ 500319.24
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline?
The IUPAC name of 3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline (CID 92529506) is 3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline?
The canonical SMILES for 3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline is CCC(/C=C\c1ccccc1)=N/Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline?
The InChIKey is LTTOUUHVKAYFKL-ZHBDLUIPSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-2-14(9-8-13-6-4-3-5-7-13)20-21-15-10-11-16(18)17(19)12-15/h3-12,21H,2H2,1H3/b9-8-,20-14-.
What are the key properties of 3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline?
3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline has a molecular weight of 319.24 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 3,4-dichloro-N-[(Z)-[(Z)-1-phenylpent-1-en-3-ylidene]amino]aniline is sourced from PubChem (CID 92529506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).