1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide

C16H20BrN3O3 — CID 43058804

IUPAC1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C16H20BrN3O3/c1-10(2)19-14(21)8-18-16(23)11-6-15(22)20(9-11)13-5-3-4-12(17)7-13/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyBIJWGNLIKGCGDJ-UHFFFAOYSA-N
MW382.26 g/mol
LogP1.44
Rot. Bonds5

About 1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide

1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 43058804) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID43058804
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C16H20BrN3O3/c1-10(2)19-14(21)8-18-16(23)11-6-15(22)20(9-11)13-5-3-4-12(17)7-13/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyBIJWGNLIKGCGDJ-UHFFFAOYSA-N
XLogP1.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
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1-(3-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 120943924
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide (CID 43058804) is 1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide is CC(C)NC(=O)CNC(=O)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is BIJWGNLIKGCGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-10(2)19-14(21)8-18-16(23)11-6-15(22)20(9-11)13-5-3-4-12(17)7-13/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of 1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 43058804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).