(E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide

C19H19Cl2N3O2 — CID 9432330

IUPAC(E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)/C=C/c2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C19H19Cl2N3O2/c1-12-6-8-17(13(2)10-12)22-11-19(26)24-23-18(25)9-7-14-15(20)4-3-5-16(14)21/h3-10,22H,11H2,1-2H3,(H,23,25)(H,24,26)/b9-7+
InChIKeyFOMUOOHDKRGYDI-VQHVLOKHSA-N
MW392.29 g/mol
LogP3.88
Rot. Bonds5

About (E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide

(E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide (PubChem CID 9432330) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide
PubChem CID9432330
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)/C=C/c2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C19H19Cl2N3O2/c1-12-6-8-17(13(2)10-12)22-11-19(26)24-23-18(25)9-7-14-15(20)4-3-5-16(14)21/h3-10,22H,11H2,1-2H3,(H,23,25)(H,24,26)/b9-7+
InChIKeyFOMUOOHDKRGYDI-VQHVLOKHSA-N
XLogP3.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 9432686
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide
CID 9432314
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-fluorophenyl)prop-2-enehydrazide
CID 9432147
(E)-3-(1,3-benzothiazol-2-yl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide
CID 7923213
(E)-3-(2-chloro-6-fluorophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 6138272
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263
3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 732081
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
CID 51429705
(E)-3-(2,6-dichlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 26877037
N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 9432088
3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2931896

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide (CID 9432330) is (E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide is Cc1ccc(NCC(=O)NNC(=O)/C=C/c2c(Cl)cccc2Cl)c(C)c1.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide?
The InChIKey is FOMUOOHDKRGYDI-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-12-6-8-17(13(2)10-12)22-11-19(26)24-23-18(25)9-7-14-15(20)4-3-5-16(14)21/h3-10,22H,11H2,1-2H3,(H,23,25)(H,24,26)/b9-7+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide?
(E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide has a molecular weight of 392.29 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 9432330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).