(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

C13H15BrN2O2 — CID 30838716

IUPAC(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C13H15BrN2O2/c1-2-15-13(18)9-7-12(17)16(8-9)11-6-4-3-5-10(11)14/h3-6,9H,2,7-8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyYMPHNONKJCCTNC-VIFPVBQESA-N
MW311.18 g/mol
LogP1.94
Rot. Bonds3

About (3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 30838716) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is (3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID30838716
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C13H15BrN2O2/c1-2-15-13(18)9-7-12(17)16(8-9)11-6-4-3-5-10(11)14/h3-6,9H,2,7-8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyYMPHNONKJCCTNC-VIFPVBQESA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
1-(2-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55576367
1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119445531
(2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362047
1-(2-bromophenyl)-5-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 46587264
2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187504
1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 71881105
1-(2-bromophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86801814
1-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 87043657

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide (CID 30838716) is (3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide is CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of (3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YMPHNONKJCCTNC-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-2-15-13(18)9-7-12(17)16(8-9)11-6-4-3-5-10(11)14/h3-6,9H,2,7-8H2,1H3,(H,15,18)/t9-/m0/s1.
What are the key properties of (3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 30838716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).