1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

C14H17BrN2O2 — CID 84503378

IUPAC1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C14H17BrN2O2/c1-2-6-16-14(19)10-7-13(18)17(9-10)12-5-3-4-11(15)8-12/h3-5,8,10H,2,6-7,9H2,1H3,(H,16,19)
InChIKeyDBDGEDQCUHPACY-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.33
Rot. Bonds4

About 1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 84503378) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID84503378
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C14H17BrN2O2/c1-2-6-16-14(19)10-7-13(18)17(9-10)12-5-3-4-11(15)8-12/h3-5,8,10H,2,6-7,9H2,1H3,(H,16,19)
InChIKeyDBDGEDQCUHPACY-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
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-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190290
1-(3-bromophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 42952883
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
1-(3-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 120943924
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 40965916
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
1-(3-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120943923
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113188805

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 84503378) is 1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is DBDGEDQCUHPACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-6-16-14(19)10-7-13(18)17(9-10)12-5-3-4-11(15)8-12/h3-5,8,10H,2,6-7,9H2,1H3,(H,16,19).
What are the key properties of 1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 84503378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).