N'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide

C17H17ClN2O2 — CID 773920

IUPACN'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c18-15-9-6-14(7-10-15)12-17(22)20-19-16(21)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2,(H,19,21)(H,20,22)
InChIKeyMNHVXATUYZUOBL-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.66
Rot. Bonds5

About N'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide

N'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide (PubChem CID 773920) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide
PubChem CID773920
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c18-15-9-6-14(7-10-15)12-17(22)20-19-16(21)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2,(H,19,21)(H,20,22)
InChIKeyMNHVXATUYZUOBL-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.66
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]-3-phenylpropanehydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide (CID 773920) is N'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide is O=C(CCc1ccccc1)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide?
The InChIKey is MNHVXATUYZUOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-15-9-6-14(7-10-15)12-17(22)20-19-16(21)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide?
N'-[2-(4-chlorophenyl)acetyl]-3-phenylpropanehydrazide has a molecular weight of 316.79 g/mol, XLogP of 2.66, 5 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]-3-phenylpropanehydrazide is sourced from PubChem (CID 773920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).