1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

C18H18BrN3O4 — CID 42943340

IUPAC1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1)c1ccco1
InChIInChI=1S/C18H18BrN3O4/c19-13-3-5-14(6-4-13)22-11-12(10-16(22)23)17(24)20-7-8-21-18(25)15-2-1-9-26-15/h1-6,9,12H,7-8,10-11H2,(H,20,24)(H,21,25)
InChIKeyNPPRSOLXKJSPQY-UHFFFAOYSA-N
MW420.26 g/mol
LogP1.94
Rot. Bonds6

About 1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42943340) has the molecular formula C18H18BrN3O4 and a molecular weight of 420.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42943340
Molecular FormulaC18H18BrN3O4
Molecular Weight420.26 g/mol
Exact Mass419.05
IUPAC Name1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1)c1ccco1
InChIInChI=1S/C18H18BrN3O4/c19-13-3-5-14(6-4-13)22-11-12(10-16(22)23)17(24)20-7-8-21-18(25)15-2-1-9-26-15/h1-6,9,12H,7-8,10-11H2,(H,20,24)(H,21,25)
InChIKeyNPPRSOLXKJSPQY-UHFFFAOYSA-N
XLogP1.94
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
1-benzyl-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108539005
1-(4-bromophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3373774
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113188043
1-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113188045
1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 113188046
(3R)-N-[2-[(2-bromobenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29135405
(3R)-N-[2-(furan-3-carbonylamino)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94612242
(3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126175921
1-(4-bromo-3-methylphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 42952579
(3S)-1-(4-ethoxyphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 26856151
(3S)-1-(4-bromophenyl)-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 25473658

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 42943340) is 1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1)c1ccco1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NPPRSOLXKJSPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O4/c19-13-3-5-14(6-4-13)22-11-12(10-16(22)23)17(24)20-7-8-21-18(25)15-2-1-9-26-15/h1-6,9,12H,7-8,10-11H2,(H,20,24)(H,21,25).
What are the key properties of 1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 420.26 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42943340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).