(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide

C14H13BrN2O3 — CID 95118501

IUPAC(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H13BrN2O3/c15-9-3-4-11-8(6-9)7-12(20-11)14(19)17-5-1-2-10(17)13(16)18/h3-4,6-7,10H,1-2,5H2,(H2,16,18)/t10-/m1/s1
InChIKeyGBONBGZVRJMPFN-SNVBAGLBSA-N
MW337.17 g/mol
LogP2.29
Rot. Bonds2

About (2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 95118501) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is (2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID95118501
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H13BrN2O3/c15-9-3-4-11-8(6-9)7-12(20-11)14(19)17-5-1-2-10(17)13(16)18/h3-4,6-7,10H,1-2,5H2,(H2,16,18)/t10-/m1/s1
InChIKeyGBONBGZVRJMPFN-SNVBAGLBSA-N
XLogP2.29
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-1-benzofuran-2-yl)-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]methanone
CID 97013168
(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
CID 93418929
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254
1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile
CID 49062183
methyl 1-(5-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxylate
CID 61219649
(5-bromo-1-benzofuran-2-yl)-(1,4-diazepan-1-yl)methanone
CID 119414241
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 49264037
tert-butyl 2-(5-bromo-1-benzofuran-2-carbonyl)piperidine-1-carboxylate
CID 66968171
(5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 61101971
[4-(5-bromo-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 78865868
1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 139002167
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide (CID 95118501) is (2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of (2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is GBONBGZVRJMPFN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c15-9-3-4-11-8(6-9)7-12(20-11)14(19)17-5-1-2-10(17)13(16)18/h3-4,6-7,10H,1-2,5H2,(H2,16,18)/t10-/m1/s1.
What are the key properties of (2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 337.17 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95118501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).