4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline

C15H12Cl2N2 — CID 171783566

IUPAC4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline
SMILESClc1ccc(C=CC=NNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12Cl2N2/c16-13-5-3-12(4-6-13)2-1-11-18-19-15-9-7-14(17)8-10-15/h1-11,19H
InChIKeyOCNAXYGCMBNFIT-UHFFFAOYSA-N
MW291.18 g/mol
LogP5.10
Rot. Bonds4

About 4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline

4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline (PubChem CID 171783566) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline
PubChem CID171783566
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline
SMILESClc1ccc(C=CC=NNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12Cl2N2/c16-13-5-3-12(4-6-13)2-1-11-18-19-15-9-7-14(17)8-10-15/h1-11,19H
InChIKeyOCNAXYGCMBNFIT-UHFFFAOYSA-N
XLogP5.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.10
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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Related Compounds

4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
CID 93005804
1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene
CID 73211746
N'-(4-chloroanilino)-N-oxomethanimidamide
CID 177383654
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
CID 141391243
3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine
CID 3908635
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline
CID 110506082
N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline
CID 167431722
1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
CID 72540254
4-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]-1-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]phthalazine-1,4-diamine
CID 92534193

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline?
The IUPAC name of 4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline (CID 171783566) is 4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline is Clc1ccc(C=CC=NNc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline?
The InChIKey is OCNAXYGCMBNFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c16-13-5-3-12(4-6-13)2-1-11-18-19-15-9-7-14(17)8-10-15/h1-11,19H.
What are the key properties of 4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline?
4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline has a molecular weight of 291.18 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline is sourced from PubChem (CID 171783566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).