(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide

C11H12Cl2N2O — CID 9163694

IUPAC(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
SMILESCN(C)NC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-15(2)14-11(16)6-4-8-3-5-9(12)7-10(8)13/h3-7H,1-2H3,(H,14,16)/b6-4+
InChIKeyWGDCFNNGASRSJC-GQCTYLIASA-N
MW259.14 g/mol
LogP2.60
Rot. Bonds3

About (E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide

(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide (PubChem CID 9163694) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
PubChem CID9163694
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
SMILESCN(C)NC(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-15(2)14-11(16)6-4-8-3-5-9(12)7-10(8)13/h3-7H,1-2H3,(H,14,16)/b6-4+
InChIKeyWGDCFNNGASRSJC-GQCTYLIASA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-3-(2,4-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide
CID 115703845
1-(2,4-dichlorophenyl)pent-1-en-3-one
CID 142778018
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
CID 4745023
3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
CID 897133
3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 2931488
(E)-3-(2,4-dichlorophenyl)-N-[4-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-3-methylphenyl]-2-methylphenyl]prop-2-enamide
CID 6015566
diethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propanedioate
CID 33239901
(2S)-2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-hydroxybutanoic acid
CID 107822045

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide (CID 9163694) is (E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide is CN(C)NC(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide?
The InChIKey is WGDCFNNGASRSJC-GQCTYLIASA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-15(2)14-11(16)6-4-8-3-5-9(12)7-10(8)13/h3-7H,1-2H3,(H,14,16)/b6-4+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide?
(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide has a molecular weight of 259.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide is sourced from PubChem (CID 9163694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).