N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide

C17H17N3O4 — CID 24658797

IUPACN'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN1C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H17N3O4/c21-15(12-6-2-1-3-7-12)18-19-16(22)13-8-4-10-20(13)17(23)14-9-5-11-24-14/h1-3,5-7,9,11,13H,4,8,10H2,(H,18,21)(H,19,22)
InChIKeyMCDHAGBBCZBLOR-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.35
Rot. Bonds3

About N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide

N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide (PubChem CID 24658797) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
PubChem CID24658797
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN1C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H17N3O4/c21-15(12-6-2-1-3-7-12)18-19-16(22)13-8-4-10-20(13)17(23)14-9-5-11-24-14/h1-3,5-7,9,11,13H,4,8,10H2,(H,18,21)(H,19,22)
InChIKeyMCDHAGBBCZBLOR-UHFFFAOYSA-N
XLogP1.35
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.35
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

(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 32766924
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492
N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 166198860
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide?
The IUPAC name of N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide (CID 24658797) is N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide is O=C(NNC(=O)C1CCCN1C(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide?
The InChIKey is MCDHAGBBCZBLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-15(12-6-2-1-3-7-12)18-19-16(22)13-8-4-10-20(13)17(23)14-9-5-11-24-14/h1-3,5-7,9,11,13H,4,8,10H2,(H,18,21)(H,19,22).
What are the key properties of N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide?
N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide has a molecular weight of 327.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 24658797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).