N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide

C17H17ClN2O3 — CID 3139333

IUPACN'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O3/c18-14-8-4-5-9-15(14)23-12-17(22)20-19-16(21)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyPKFCHNZMONXZQU-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.50
Rot. Bonds6

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

N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide (PubChem CID 3139333) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
PubChem CID3139333
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O3/c18-14-8-4-5-9-15(14)23-12-17(22)20-19-16(21)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyPKFCHNZMONXZQU-UHFFFAOYSA-N
XLogP2.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222861
4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3394735
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-(2-chlorophenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093502
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 7601132
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 2561230
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide (CID 3139333) is N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide is O=C(CCc1ccccc1)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide?
The InChIKey is PKFCHNZMONXZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-14-8-4-5-9-15(14)23-12-17(22)20-19-16(21)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide has a molecular weight of 332.79 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide is sourced from PubChem (CID 3139333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).