N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide

C12H13ClN2O2 — CID 4938227

IUPACN'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)C1CC1
InChIInChI=1S/C12H13ClN2O2/c13-10-5-1-8(2-6-10)7-11(16)14-15-12(17)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,14,16)(H,15,17)
InChIKeyHRBSXLULDHAEIT-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.44
Rot. Bonds3

About N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide

N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide (PubChem CID 4938227) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
PubChem CID4938227
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)C1CC1
InChIInChI=1S/C12H13ClN2O2/c13-10-5-1-8(2-6-10)7-11(16)14-15-12(17)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,14,16)(H,15,17)
InChIKeyHRBSXLULDHAEIT-UHFFFAOYSA-N
XLogP1.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.44
H-Bond Donors ≤ 52
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 N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide (CID 4938227) is N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)C1CC1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide?
The InChIKey is HRBSXLULDHAEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-10-5-1-8(2-6-10)7-11(16)14-15-12(17)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,14,16)(H,15,17).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide has a molecular weight of 252.70 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide is sourced from PubChem (CID 4938227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).