1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide

C12H14ClFN2O — CID 116848348

IUPAC1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide
SMILESCN(C)NC(=O)C1(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H14ClFN2O/c1-16(2)15-11(17)12(5-6-12)8-3-4-10(14)9(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyXSHYKTQJOOFJDS-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.10
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide

1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide (PubChem CID 116848348) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide
PubChem CID116848348
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide
SMILESCN(C)NC(=O)C1(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H14ClFN2O/c1-16(2)15-11(17)12(5-6-12)8-3-4-10(14)9(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyXSHYKTQJOOFJDS-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide (CID 116848348) is 1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide is CN(C)NC(=O)C1(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide?
The InChIKey is XSHYKTQJOOFJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c1-16(2)15-11(17)12(5-6-12)8-3-4-10(14)9(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide?
1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide has a molecular weight of 256.71 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N',N'-dimethylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 116848348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).