(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide

C20H20FN3O4 — CID 9471840

IUPAC(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(N2C[C@H](C(=O)NNC(=O)COc3ccccc3F)CC2=O)cc1
InChIInChI=1S/C20H20FN3O4/c1-13-6-8-15(9-7-13)24-11-14(10-19(24)26)20(27)23-22-18(25)12-28-17-5-3-2-4-16(17)21/h2-9,14H,10-12H2,1H3,(H,22,25)(H,23,27)/t14-/m1/s1
InChIKeyDXACZWVHOBFCKT-CQSZACIVSA-N
MW385.40 g/mol
LogP1.71
Rot. Bonds5

About (3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide

(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 9471840) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is (3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID9471840
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(N2C[C@H](C(=O)NNC(=O)COc3ccccc3F)CC2=O)cc1
InChIInChI=1S/C20H20FN3O4/c1-13-6-8-15(9-7-13)24-11-14(10-19(24)26)20(27)23-22-18(25)12-28-17-5-3-2-4-16(17)21/h2-9,14H,10-12H2,1H3,(H,22,25)(H,23,27)/t14-/m1/s1
InChIKeyDXACZWVHOBFCKT-CQSZACIVSA-N
XLogP1.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.71
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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Related Compounds

(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51933925
N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51145340
(3S)-1-(4-ethoxyphenyl)-N'-[2-(4-fluorophenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 7910780
1-(3,4-dimethoxyphenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 55573433
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(2-methylphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 41135075
N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24686411
1-(4-methylphenyl)-5-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55507499
(3S)-N'-[2-(2,6-dimethylphenoxy)acetyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 7910973
1-(4-fluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea
CID 9469288
1-[(4-fluorophenyl)methyl]-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea
CID 8942444
N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78812975
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 7255738

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of (3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 9471840) is (3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for (3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide is Cc1ccc(N2C[C@H](C(=O)NNC(=O)COc3ccccc3F)CC2=O)cc1.
What is the InChIKey of (3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is DXACZWVHOBFCKT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-13-6-8-15(9-7-13)24-11-14(10-19(24)26)20(27)23-22-18(25)12-28-17-5-3-2-4-16(17)21/h2-9,14H,10-12H2,1H3,(H,22,25)(H,23,27)/t14-/m1/s1.
What are the key properties of (3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 385.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 9471840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).