N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide

C20H22BrN3O5 — CID 17232740

IUPACN'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C20H22BrN3O5/c1-12(2)29-17-6-5-14(21)9-16(17)20(27)23-22-19(26)13-8-18(25)24(10-13)11-15-4-3-7-28-15/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyOHDCEYCOONDIMK-UHFFFAOYSA-N
MW464.32 g/mol
LogP2.64
Rot. Bonds6

About N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide

N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 17232740) has the molecular formula C20H22BrN3O5 and a molecular weight of 464.32 g/mol. Its IUPAC name is N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID17232740
Molecular FormulaC20H22BrN3O5
Molecular Weight464.32 g/mol
Exact Mass463.07
IUPAC NameN'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C20H22BrN3O5/c1-12(2)29-17-6-5-14(21)9-16(17)20(27)23-22-19(26)13-8-18(25)24(10-13)11-15-4-3-7-28-15/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyOHDCEYCOONDIMK-UHFFFAOYSA-N
XLogP2.64
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromo-4-ethoxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232744
1-(furan-2-ylmethyl)-5-oxo-N'-(2-phenoxypropanoyl)pyrrolidine-3-carbohydrazide
CID 17232666
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
N'-(2-butoxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232688
1-(furan-2-ylmethyl)-5-oxo-N'-(2-pentoxybenzoyl)pyrrolidine-3-carbohydrazide
CID 17232694
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232724
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232750
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]acetamide
CID 17232816
1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 51203979
3-butan-2-yloxy-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]benzamide
CID 17232883
1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 17232632

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide (CID 17232740) is N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide is CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is OHDCEYCOONDIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O5/c1-12(2)29-17-6-5-14(21)9-16(17)20(27)23-22-19(26)13-8-18(25)24(10-13)11-15-4-3-7-28-15/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide?
N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 464.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-propan-2-yloxybenzoyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 17232740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).