N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide

C19H19FN2O4 — CID 43971122

IUPACN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CC(=O)N(c3cccc(F)c3)C2)c1OC
InChIInChI=1S/C19H19FN2O4/c1-25-16-8-4-7-15(18(16)26-2)19(24)21-13-10-17(23)22(11-13)14-6-3-5-12(20)9-14/h3-9,13H,10-11H2,1-2H3,(H,21,24)
InChIKeyXVRUGRAECMOGOV-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.38
Rot. Bonds5

About N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide

N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide (PubChem CID 43971122) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide
PubChem CID43971122
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CC(=O)N(c3cccc(F)c3)C2)c1OC
InChIInChI=1S/C19H19FN2O4/c1-25-16-8-4-7-15(18(16)26-2)19(24)21-13-10-17(23)22(11-13)14-6-3-5-12(20)9-14/h3-9,13H,10-11H2,1-2H3,(H,21,24)
InChIKeyXVRUGRAECMOGOV-UHFFFAOYSA-N
XLogP2.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548524
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
CID 7215573
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 7563379
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 16822262
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 43971113
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
1-(3,4-dimethoxyphenyl)-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547448
3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971125
3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
CID 71962645
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 7215628
1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547452

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide (CID 43971122) is N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC2CC(=O)N(c3cccc(F)c3)C2)c1OC.
What is the InChIKey of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide?
The InChIKey is XVRUGRAECMOGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-25-16-8-4-7-15(18(16)26-2)19(24)21-13-10-17(23)22(11-13)14-6-3-5-12(20)9-14/h3-9,13H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide?
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide has a molecular weight of 358.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 43971122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).