2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide

C18H18N2O5 — CID 18109151

IUPAC2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
SMILESCCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H18N2O5/c1-2-15(21)12-7-9-13(10-8-12)25-11-17(23)19-20-18(24)14-5-3-4-6-16(14)22/h3-10,22H,2,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyXTBSGBWRWARYOS-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.82
Rot. Bonds6

About 2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide

2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide (PubChem CID 18109151) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
PubChem CID18109151
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
SMILESCCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H18N2O5/c1-2-15(21)12-7-9-13(10-8-12)25-11-17(23)19-20-18(24)14-5-3-4-6-16(14)22/h3-10,22H,2,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyXTBSGBWRWARYOS-UHFFFAOYSA-N
XLogP1.82
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 2088517
N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26706316
N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 1037884
N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26084463
2-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 4927617
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbenzohydrazide
CID 732287
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404
N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide
CID 51326556
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide (CID 18109151) is 2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide is CCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
The InChIKey is XTBSGBWRWARYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-2-15(21)12-7-9-13(10-8-12)25-11-17(23)19-20-18(24)14-5-3-4-6-16(14)22/h3-10,22H,2,11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide has a molecular weight of 342.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 18109151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).