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

C11H12ClFN2O — CID 9180247

IUPAC(E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide
SMILESCN(C)NC(=O)/C=C/c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFN2O/c1-15(2)14-11(16)6-4-8-3-5-10(13)9(12)7-8/h3-7H,1-2H3,(H,14,16)/b6-4+
InChIKeyYCWCSEDNPWGZDW-GQCTYLIASA-N
MW242.68 g/mol
LogP2.09
Rot. Bonds3

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

(E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide (PubChem CID 9180247) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide
PubChem CID9180247
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name(E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide
SMILESCN(C)NC(=O)/C=C/c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFN2O/c1-15(2)14-11(16)6-4-8-3-5-10(13)9(12)7-8/h3-7H,1-2H3,(H,14,16)/b6-4+
InChIKeyYCWCSEDNPWGZDW-GQCTYLIASA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide?
The IUPAC name of (E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide (CID 9180247) is (E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide?
The canonical SMILES for (E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide is CN(C)NC(=O)/C=C/c1ccc(F)c(Cl)c1.
What is the InChIKey of (E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide?
The InChIKey is YCWCSEDNPWGZDW-GQCTYLIASA-N. The full InChI is InChI=1S/C11H12ClFN2O/c1-15(2)14-11(16)6-4-8-3-5-10(13)9(12)7-8/h3-7H,1-2H3,(H,14,16)/b6-4+.
What are the key properties of (E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide?
(E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide has a molecular weight of 242.68 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-fluorophenyl)-N',N'-dimethylprop-2-enehydrazide is sourced from PubChem (CID 9180247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).