(E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide

C17H17Cl2N3O — CID 56777594

IUPAC(E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide
SMILESCN(C)c1ccc(/C=C/C(=O)NNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2N3O/c1-22(2)14-7-3-12(4-8-14)5-10-17(23)21-20-13-6-9-15(18)16(19)11-13/h3-11,20H,1-2H3,(H,21,23)/b10-5+
InChIKeyZNQYHZQVSNCAQI-BJMVGYQFSA-N
MW350.25 g/mol
LogP4.22
Rot. Bonds5

About (E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide

(E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide (PubChem CID 56777594) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is (E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide
PubChem CID56777594
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name(E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide
SMILESCN(C)c1ccc(/C=C/C(=O)NNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2N3O/c1-22(2)14-7-3-12(4-8-14)5-10-17(23)21-20-13-6-9-15(18)16(19)11-13/h3-11,20H,1-2H3,(H,21,23)/b10-5+
InChIKeyZNQYHZQVSNCAQI-BJMVGYQFSA-N
XLogP4.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6247065
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one;methane
CID 165078297
(E)-N-[(2R)-butan-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39399219
(2E,4E)-5-[4-(dimethylamino)phenyl]-N-hydroxypenta-2,4-dienamide
CID 11593830
3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide
CID 73010677
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
CID 26184751
3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 29331413
(2E)-N-(3,4-dichlorophenyl)-2-[(E)-[(E)-4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 137273863

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide?
The IUPAC name of (E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide (CID 56777594) is (E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide?
The canonical SMILES for (E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide is CN(C)c1ccc(/C=C/C(=O)NNc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide?
The InChIKey is ZNQYHZQVSNCAQI-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c1-22(2)14-7-3-12(4-8-14)5-10-17(23)21-20-13-6-9-15(18)16(19)11-13/h3-11,20H,1-2H3,(H,21,23)/b10-5+.
What are the key properties of (E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide?
(E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide has a molecular weight of 350.25 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enehydrazide is sourced from PubChem (CID 56777594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).