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

C14H17BrN2O2 — CID 166062145

IUPACN-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCCCc2ccc(Br)cc2)CN1
InChIInChI=1S/C14H17BrN2O2/c15-12-5-3-10(4-6-12)2-1-7-16-14(19)11-8-13(18)17-9-11/h3-6,11H,1-2,7-9H2,(H,16,19)(H,17,18)
InChIKeyMECYTGOWDBPDAJ-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.63
Rot. Bonds5

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

N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 166062145) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID166062145
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCCCc2ccc(Br)cc2)CN1
InChIInChI=1S/C14H17BrN2O2/c15-12-5-3-10(4-6-12)2-1-7-16-14(19)11-8-13(18)17-9-11/h3-6,11H,1-2,7-9H2,(H,16,19)(H,17,18)
InChIKeyMECYTGOWDBPDAJ-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 81478476
N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide
CID 81469853
N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
CID 81459469
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide
CID 82135396
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
N-[3-[4-[[2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]amino]phenyl]propyl]-5-oxopyrrolidine-3-carboxamide
CID 166062584
N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 103842213
(2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 97347627
N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 86783977
5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78983105
methyl 4-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoate
CID 78981862

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 166062145) is N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NCCCc2ccc(Br)cc2)CN1.
What is the InChIKey of N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MECYTGOWDBPDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-12-5-3-10(4-6-12)2-1-7-16-14(19)11-8-13(18)17-9-11/h3-6,11H,1-2,7-9H2,(H,16,19)(H,17,18).
What are the key properties of N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166062145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).