N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide

C19H19N3O3 — CID 3766254

IUPACN'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide
SMILESO=C(NNC1CC(=O)N(CCc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C19H19N3O3/c23-17-13-16(20-21-18(24)15-9-5-2-6-10-15)19(25)22(17)12-11-14-7-3-1-4-8-14/h1-10,16,20H,11-13H2,(H,21,24)
InChIKeyCCRLITLTEFNCIU-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.29
Rot. Bonds6

About N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide

N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide (PubChem CID 3766254) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide
PubChem CID3766254
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide
SMILESO=C(NNC1CC(=O)N(CCc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C19H19N3O3/c23-17-13-16(20-21-18(24)15-9-5-2-6-10-15)19(25)22(17)12-11-14-7-3-1-4-8-14/h1-10,16,20H,11-13H2,(H,21,24)
InChIKeyCCRLITLTEFNCIU-UHFFFAOYSA-N
XLogP1.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
CID 4101151
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2492862
3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 85230706
(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 51509569
1-(2-phenylethyl)-3-[4-(tetrazol-1-yl)anilino]pyrrolidine-2,5-dione
CID 42911442
(3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 725535
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
N'-[(3S)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2446641
3-tert-butyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 86073076
(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium
CID 7058200
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 71897160

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide?
The IUPAC name of N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide (CID 3766254) is N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide.
What is the SMILES notation for N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide?
The canonical SMILES for N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide is O=C(NNC1CC(=O)N(CCc2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide?
The InChIKey is CCRLITLTEFNCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-17-13-16(20-21-18(24)15-9-5-2-6-10-15)19(25)22(17)12-11-14-7-3-1-4-8-14/h1-10,16,20H,11-13H2,(H,21,24).
What are the key properties of N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide?
N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide has a molecular weight of 337.38 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide is sourced from PubChem (CID 3766254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).