1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide

C17H24BrN3O2 — CID 55883884

IUPAC1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2cccc(Br)c2)C1=O
InChIInChI=1S/C17H24BrN3O2/c1-3-20(4-2)11-9-19-16(22)15-8-10-21(17(15)23)14-7-5-6-13(18)12-14/h5-7,12,15H,3-4,8-11H2,1-2H3,(H,19,22)
InChIKeyOIJWKSLQBVNNJK-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.26
Rot. Bonds7

About 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide

1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 55883884) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID55883884
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2cccc(Br)c2)C1=O
InChIInChI=1S/C17H24BrN3O2/c1-3-20(4-2)11-9-19-16(22)15-8-10-21(17(15)23)14-7-5-6-13(18)12-14/h5-7,12,15H,3-4,8-11H2,1-2H3,(H,19,22)
InChIKeyOIJWKSLQBVNNJK-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-N-[2-(methylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 119501260
N-(3-aminopropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119406084
1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 55833403
N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119640980
N-(3-amino-2-methylpropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119996993
1-(3-bromophenyl)-N-(4-ethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 55826690
(3R)-1-(3-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 52533801
1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide
CID 20964259
1-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 55834549
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119349115
1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide
CID 55843905
1-(3-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-oxopyrrolidine-3-carboxamide
CID 55830003

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide (CID 55883884) is 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide is CCN(CC)CCNC(=O)C1CCN(c2cccc(Br)c2)C1=O.
What is the InChIKey of 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is OIJWKSLQBVNNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-3-20(4-2)11-9-19-16(22)15-8-10-21(17(15)23)14-7-5-6-13(18)12-14/h5-7,12,15H,3-4,8-11H2,1-2H3,(H,19,22).
What are the key properties of 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide?
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55883884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).