N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide

C18H19BrN2O3 — CID 1254089

IUPACN-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1c(C(=O)C2CC2)oc2ccc(Br)cc12
InChIInChI=1S/C18H19BrN2O3/c19-12-5-6-14-13(9-12)16(18(24-14)17(23)11-3-4-11)20-15(22)10-21-7-1-2-8-21/h5-6,9,11H,1-4,7-8,10H2,(H,20,22)
InChIKeyGJOFMBKORSLPHZ-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.82
Rot. Bonds5

About N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide

N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 1254089) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID1254089
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1c(C(=O)C2CC2)oc2ccc(Br)cc12
InChIInChI=1S/C18H19BrN2O3/c19-12-5-6-14-13(9-12)16(18(24-14)17(23)11-3-4-11)20-15(22)10-21-7-1-2-8-21/h5-6,9,11H,1-4,7-8,10H2,(H,20,22)
InChIKeyGJOFMBKORSLPHZ-UHFFFAOYSA-N
XLogP3.82
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 574776
ethyl 5-bromo-3-(3-piperidin-1-ylpropanoylamino)-1-benzofuran-2-carboxylate
CID 566805
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate
CID 1281686
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 16589755
2-methylpropyl 4-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68985316
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-acetyl-1-benzofuran-3-yl)acetamide
CID 11939628
5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride
CID 90485107
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide
CID 3330031
(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methanone
CID 95751379
[4-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]cyclohexyl]methyl-tert-butylcarbamic acid
CID 67186748

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide (CID 1254089) is N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1c(C(=O)C2CC2)oc2ccc(Br)cc12.
What is the InChIKey of N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is GJOFMBKORSLPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c19-12-5-6-14-13(9-12)16(18(24-14)17(23)11-3-4-11)20-15(22)10-21-7-1-2-8-21/h5-6,9,11H,1-4,7-8,10H2,(H,20,22).
What are the key properties of N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide?
N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 391.27 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 1254089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).