N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide

C22H20N2O4 — CID 1213602

IUPACN'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide
SMILESCOc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O4/c1-27-19-8-5-9-20(14-19)28-15-21(25)23-24-22(26)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyNAXABKCSEHONAO-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.20
Rot. Bonds6

About N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide

N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide (PubChem CID 1213602) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide
PubChem CID1213602
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide
SMILESCOc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O4/c1-27-19-8-5-9-20(14-19)28-15-21(25)23-24-22(26)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyNAXABKCSEHONAO-UHFFFAOYSA-N
XLogP3.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide?
The IUPAC name of N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide (CID 1213602) is N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide.
What is the SMILES notation for N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide?
The canonical SMILES for N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide is COc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide?
The InChIKey is NAXABKCSEHONAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-19-8-5-9-20(14-19)28-15-21(25)23-24-22(26)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide?
N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide has a molecular weight of 376.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenoxy)acetyl]-4-phenylbenzohydrazide is sourced from PubChem (CID 1213602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).