(2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide

C26H19Cl4N3O2 — CID 129160039

IUPAC(2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide
SMILESC/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=c1/[nH]/c(=C(/C)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C26H19Cl4N3O2/c1-13(25(34)31-15-7-9-19(27)21(29)11-15)23-17-5-3-4-6-18(17)24(33-23)14(2)26(35)32-16-8-10-20(28)22(30)12-16/h3-12,33H,1-2H3,(H,31,34)(H,32,35)/b23-13-,24-14-
InChIKeyFYSDLMKLKYGRAH-GACBQCINSA-N
MW547.27 g/mol
LogP6.40
Rot. Bonds4

About (2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide

(2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide (PubChem CID 129160039) has the molecular formula C26H19Cl4N3O2 and a molecular weight of 547.27 g/mol. Its IUPAC name is (2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide
PubChem CID129160039
Molecular FormulaC26H19Cl4N3O2
Molecular Weight547.27 g/mol
Exact Mass545.02
IUPAC Name(2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide
SMILESC/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=c1/[nH]/c(=C(/C)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C26H19Cl4N3O2/c1-13(25(34)31-15-7-9-19(27)21(29)11-15)23-17-5-3-4-6-18(17)24(33-23)14(2)26(35)32-16-8-10-20(28)22(30)12-16/h3-12,33H,1-2H3,(H,31,34)(H,32,35)/b23-13-,24-14-
InChIKeyFYSDLMKLKYGRAH-GACBQCINSA-N
XLogP6.40
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.27
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
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CID 113211833
3-(3,4-dichloroanilino)-1-phenylbut-2-en-1-one
CID 867749
N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
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3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925
N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
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S-methyl N-(3,4-dichlorophenyl)carbamothioate
CID 23273770
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
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N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide
CID 43315781
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of (2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide (CID 129160039) is (2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for (2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for (2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide is C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=c1/[nH]/c(=C(/C)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12.
What is the InChIKey of (2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is FYSDLMKLKYGRAH-GACBQCINSA-N. The full InChI is InChI=1S/C26H19Cl4N3O2/c1-13(25(34)31-15-7-9-19(27)21(29)11-15)23-17-5-3-4-6-18(17)24(33-23)14(2)26(35)32-16-8-10-20(28)22(30)12-16/h3-12,33H,1-2H3,(H,31,34)(H,32,35)/b23-13-,24-14-.
What are the key properties of (2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide?
(2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 547.27 g/mol, XLogP of 6.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 129160039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).