(3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C14H16BrFN2O2 — CID 94631257

IUPAC(3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NCCc2ccc(F)c(Br)c2)CC1=O
InChIInChI=1S/C14H16BrFN2O2/c1-18-8-10(7-13(18)19)14(20)17-5-4-9-2-3-12(16)11(15)6-9/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeySPUSHMRFSYBIMI-SNVBAGLBSA-N
MW343.20 g/mol
LogP1.73
Rot. Bonds4

About (3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 94631257) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is (3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID94631257
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name(3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NCCc2ccc(F)c(Br)c2)CC1=O
InChIInChI=1S/C14H16BrFN2O2/c1-18-8-10(7-13(18)19)14(20)17-5-4-9-2-3-12(16)11(15)6-9/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeySPUSHMRFSYBIMI-SNVBAGLBSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119742372
1-(3,5-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17120911
(3R)-1-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94088856
(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620
(3S)-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998725
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42990212
1-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46584016
N-[2-(4-chlorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182532
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
N-[2-(4-chlorophenyl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18107857
1-(2,6-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186220
N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120668

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 94631257) is (3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C[C@H](C(=O)NCCc2ccc(F)c(Br)c2)CC1=O.
What is the InChIKey of (3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SPUSHMRFSYBIMI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-18-8-10(7-13(18)19)14(20)17-5-4-9-2-3-12(16)11(15)6-9/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.20 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94631257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).