1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C21H25BrN4O4 — CID 46581789

IUPAC1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C21H25BrN4O4/c22-15-5-3-6-16(12-15)26-13-14(11-17(26)27)18(28)23-9-4-10-25-19(29)21(24-20(25)30)7-1-2-8-21/h3,5-6,12,14H,1-2,4,7-11,13H2,(H,23,28)(H,24,30)
InChIKeyVOPDHYGUQMRDRD-UHFFFAOYSA-N
MW477.36 g/mol
LogP2.17
Rot. Bonds6

About 1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide

1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46581789) has the molecular formula C21H25BrN4O4 and a molecular weight of 477.36 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46581789
Molecular FormulaC21H25BrN4O4
Molecular Weight477.36 g/mol
Exact Mass476.11
IUPAC Name1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C21H25BrN4O4/c22-15-5-3-6-16(12-15)26-13-14(11-17(26)27)18(28)23-9-4-10-25-19(29)21(24-20(25)30)7-1-2-8-21/h3,5-6,12,14H,1-2,4,7-11,13H2,(H,23,28)(H,24,30)
InChIKeyVOPDHYGUQMRDRD-UHFFFAOYSA-N
XLogP2.17
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
(3R)-1-cyclopropyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 36868629
1-(3-bromophenyl)-5-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrrolidine-3-carboxamide
CID 55867800
1-(3-bromophenyl)-5-oxo-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 90556265
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216
1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 43058804
1-(3-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 120943924
1-(3-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120943923
1-[[(3S)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700111
1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700448
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51933605

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 46581789) is 1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VOPDHYGUQMRDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O4/c22-15-5-3-6-16(12-15)26-13-14(11-17(26)27)18(28)23-9-4-10-25-19(29)21(24-20(25)30)7-1-2-8-21/h3,5-6,12,14H,1-2,4,7-11,13H2,(H,23,28)(H,24,30).
What are the key properties of 1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 477.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46581789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).