[(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride

C21H16Cl4N2 — CID 20786925

IUPAC[(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride
SMILESClc1ccc(N/C(=C/C=[NH+]/c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.[Cl-]
InChIInChI=1S/C21H15Cl3N2.ClH/c22-16-3-1-15(2-4-16)21(26-20-11-7-18(24)8-12-20)13-14-25-19-9-5-17(23)6-10-19;/h1-14,26H;1H/b21-13+,25-14+;
InChIKeyBIPNAAZYUIJKIP-QZNDIHOFSA-N
MW438.19 g/mol
LogP2.59
Rot. Bonds5

About [(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride

[(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride (PubChem CID 20786925) has the molecular formula C21H16Cl4N2 and a molecular weight of 438.19 g/mol. Its IUPAC name is [(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride.

Molecular Properties

Compound Name[(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride
PubChem CID20786925
Molecular FormulaC21H16Cl4N2
Molecular Weight438.19 g/mol
Exact Mass436.01
IUPAC Name[(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride
SMILESClc1ccc(N/C(=C/C=[NH+]/c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.[Cl-]
InChIInChI=1S/C21H15Cl3N2.ClH/c22-16-3-1-15(2-4-16)21(26-20-11-7-18(24)8-12-20)13-14-25-19-9-5-17(23)6-10-19;/h1-14,26H;1H/b21-13+,25-14+;
InChIKeyBIPNAAZYUIJKIP-QZNDIHOFSA-N
XLogP2.59
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.19
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-chloroanilino)-3-(3,4-dichlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium
CID 6816553
N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline
CID 6174604
4-bromo-N-[(E)-3-(4-bromophenyl)imino-1-(4-chlorophenyl)prop-1-enyl]aniline
CID 6265594
ethyl (Z)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enoate
CID 100940925
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938
4-chloro-N-(4-fluorophenyl)benzenecarbothioamide
CID 86183001
N-(4-chlorophenyl)pyridine-4-carbothioamide
CID 5377193

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride?
The IUPAC name of [(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride (CID 20786925) is [(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride.
What is the SMILES notation for [(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride?
The canonical SMILES for [(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride is Clc1ccc(N/C(=C/C=[NH+]/c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.[Cl-].
What is the InChIKey of [(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride?
The InChIKey is BIPNAAZYUIJKIP-QZNDIHOFSA-N. The full InChI is InChI=1S/C21H15Cl3N2.ClH/c22-16-3-1-15(2-4-16)21(26-20-11-7-18(24)8-12-20)13-14-25-19-9-5-17(23)6-10-19;/h1-14,26H;1H/b21-13+,25-14+;.
What are the key properties of [(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride?
[(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride has a molecular weight of 438.19 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(4-chlorophenyl)azanium chloride is sourced from PubChem (CID 20786925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).