1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

C16H22BrN3O2 — CID 113188046

IUPAC1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H22BrN3O2/c1-19(2)9-3-8-18-16(22)12-10-15(21)20(11-12)14-6-4-13(17)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)
InChIKeyABCQCPDNGOXTCQ-UHFFFAOYSA-N
MW368.28 g/mol
LogP1.87
Rot. Bonds6

About 1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113188046) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113188046
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H22BrN3O2/c1-19(2)9-3-8-18-16(22)12-10-15(21)20(11-12)14-6-4-13(17)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)
InChIKeyABCQCPDNGOXTCQ-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188204
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113188043
1-(4-bromophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3373774
(3S)-1-(4-bromophenyl)-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 25473658
methyl 6-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoate
CID 42884055
N-[3-(dimethylamino)propyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120540
(3R)-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375419
1-(4-acetamidophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113189079
(3R)-1-(6-bromo-1H-indazol-3-yl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97266285
N-[3-(dimethylamino)propyl]-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190476
1-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113188045
N-(3-hydroxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108803695

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (CID 113188046) is 1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ABCQCPDNGOXTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-19(2)9-3-8-18-16(22)12-10-15(21)20(11-12)14-6-4-13(17)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,18,22).
What are the key properties of 1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 368.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113188046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).