N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide

C20H20FN3O4 — CID 30707777

IUPACN'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H20FN3O4/c21-16-4-1-2-5-17(16)28-13-18(25)22-23-20(27)15-9-7-14(8-10-15)12-24-11-3-6-19(24)26/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,25)(H,23,27)
InChIKeyVHEBFFBVVBJQDR-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.79
Rot. Bonds6

About N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide (PubChem CID 30707777) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
PubChem CID30707777
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H20FN3O4/c21-16-4-1-2-5-17(16)28-13-18(25)22-23-20(27)15-9-7-14(8-10-15)12-24-11-3-6-19(24)26/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,25)(H,23,27)
InChIKeyVHEBFFBVVBJQDR-UHFFFAOYSA-N
XLogP1.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30755522
N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 55377578
N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 30837166
[2-(2-fluoroanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491309
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203584
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 9373705
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888059
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9470070
(4-fluorophenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 86906530

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide (CID 30707777) is N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide is O=C(COc1ccccc1F)NNC(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The InChIKey is VHEBFFBVVBJQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c21-16-4-1-2-5-17(16)28-13-18(25)22-23-20(27)15-9-7-14(8-10-15)12-24-11-3-6-19(24)26/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,25)(H,23,27).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide has a molecular weight of 385.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 30707777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).