(4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide

C19H16Cl2N4O3 — CID 5387463

IUPAC(4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1C(=O)N(c2ccc(Cl)cc2C)C(=O)/C1=N/N
InChIInChI=1S/C19H16Cl2N4O3/c1-9-7-11(20)3-5-13(9)23-17(26)15-16(24-22)19(28)25(18(15)27)14-6-4-12(21)8-10(14)2/h3-8,15H,22H2,1-2H3,(H,23,26)/b24-16+
InChIKeyQZMHTTAHZVBKRU-LFVJCYFKSA-N
MW419.27 g/mol
LogP3.05
Rot. Bonds3

About (4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide

(4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide (PubChem CID 5387463) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is (4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide
PubChem CID5387463
Molecular FormulaC19H16Cl2N4O3
Molecular Weight419.27 g/mol
Exact Mass418.06
IUPAC Name(4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1C(=O)N(c2ccc(Cl)cc2C)C(=O)/C1=N/N
InChIInChI=1S/C19H16Cl2N4O3/c1-9-7-11(20)3-5-13(9)23-17(26)15-16(24-22)19(28)25(18(15)27)14-6-4-12(21)8-10(14)2/h3-8,15H,22H2,1-2H3,(H,23,26)/b24-16+
InChIKeyQZMHTTAHZVBKRU-LFVJCYFKSA-N
XLogP3.05
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-(carbamothioylhydrazinylidene)-N,1-bis(4-chloro-2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide
CID 5388027
N-(4-chloro-2-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186061
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
CID 162715923
N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687350
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 19169546
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775
N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682146
[2-(4-chloro-2-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77061091
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
(1R,2R,6R,7R)-4-(4-chloro-2-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98416342

Frequently Asked Questions

What is the IUPAC name of (4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of (4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide (CID 5387463) is (4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for (4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for (4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1C(=O)N(c2ccc(Cl)cc2C)C(=O)/C1=N/N.
What is the InChIKey of (4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is QZMHTTAHZVBKRU-LFVJCYFKSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c1-9-7-11(20)3-5-13(9)23-17(26)15-16(24-22)19(28)25(18(15)27)14-6-4-12(21)8-10(14)2/h3-8,15H,22H2,1-2H3,(H,23,26)/b24-16+.
What are the key properties of (4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide?
(4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 419.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N,1-bis(4-chloro-2-methylphenyl)-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 5387463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).