(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'}

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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).