N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide

C21H20N2O5 — CID 7255754

IUPACN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(N2C[C@H](NC(=O)c3cc4ccccc4o3)CC2=O)cc1OC
InChIInChI=1S/C21H20N2O5/c1-26-17-8-7-15(11-18(17)27-2)23-12-14(10-20(23)24)22-21(25)19-9-13-5-3-4-6-16(13)28-19/h3-9,11,14H,10,12H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyOFTHLFRSMXOSOO-CQSZACIVSA-N
MW380.40 g/mol
LogP2.99
Rot. Bonds5

About N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide

N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 7255754) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID7255754
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(N2C[C@H](NC(=O)c3cc4ccccc4o3)CC2=O)cc1OC
InChIInChI=1S/C21H20N2O5/c1-26-17-8-7-15(11-18(17)27-2)23-12-14(10-20(23)24)22-21(25)19-9-13-5-3-4-6-16(13)28-19/h3-9,11,14H,10,12H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyOFTHLFRSMXOSOO-CQSZACIVSA-N
XLogP2.99
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
CID 7564441
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 7255005
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 7255751
5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7255711
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 18572772
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 18573415
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 43971351
4-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-2-carboxamide
CID 71936874
2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
CID 16822106
1-benzyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
CID 7552374

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide (CID 7255754) is N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide is COc1ccc(N2C[C@H](NC(=O)c3cc4ccccc4o3)CC2=O)cc1OC.
What is the InChIKey of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is OFTHLFRSMXOSOO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-26-17-8-7-15(11-18(17)27-2)23-12-14(10-20(23)24)22-21(25)19-9-13-5-3-4-6-16(13)28-19/h3-9,11,14H,10,12H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7255754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).