N'-(2-chlorophenyl)prop-2-ynehydrazide

C9H7ClN2O — CID 130670182

IUPACN'-(2-chlorophenyl)prop-2-ynehydrazide
SMILESC#CC(=O)NNc1ccccc1Cl
InChIInChI=1S/C9H7ClN2O/c1-2-9(13)12-11-8-6-4-3-5-7(8)10/h1,3-6,11H,(H,12,13)
InChIKeyUQDATDIHZIKUGC-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.42
Rot. Bonds2

About N'-(2-chlorophenyl)prop-2-ynehydrazide

N'-(2-chlorophenyl)prop-2-ynehydrazide (PubChem CID 130670182) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is N'-(2-chlorophenyl)prop-2-ynehydrazide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)prop-2-ynehydrazide
PubChem CID130670182
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC NameN'-(2-chlorophenyl)prop-2-ynehydrazide
SMILESC#CC(=O)NNc1ccccc1Cl
InChIInChI=1S/C9H7ClN2O/c1-2-9(13)12-11-8-6-4-3-5-7(8)10/h1,3-6,11H,(H,12,13)
InChIKeyUQDATDIHZIKUGC-UHFFFAOYSA-N
XLogP1.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-benzhydryl-3-(2-chlorophenyl)urea
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(Z)-N-(2-chlorophenyl)-2-cyano-3-hydroxybut-2-enamide
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chlorobenzene;prop-2-ynoic acid
CID 158479227
ethyl (E)-3-[2-(2-chlorophenyl)hydrazinyl]-2-cyanoprop-2-enoate
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N-(2-chlorophenyl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)prop-2-ynehydrazide?
The IUPAC name of N'-(2-chlorophenyl)prop-2-ynehydrazide (CID 130670182) is N'-(2-chlorophenyl)prop-2-ynehydrazide.
What is the SMILES notation for N'-(2-chlorophenyl)prop-2-ynehydrazide?
The canonical SMILES for N'-(2-chlorophenyl)prop-2-ynehydrazide is C#CC(=O)NNc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)prop-2-ynehydrazide?
The InChIKey is UQDATDIHZIKUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-2-9(13)12-11-8-6-4-3-5-7(8)10/h1,3-6,11H,(H,12,13).
What are the key properties of N'-(2-chlorophenyl)prop-2-ynehydrazide?
N'-(2-chlorophenyl)prop-2-ynehydrazide has a molecular weight of 194.62 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)prop-2-ynehydrazide is sourced from PubChem (CID 130670182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).