3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide

C23H27FN2O5 — CID 43971125

IUPAC3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCCOc1cc(C(=O)NC2CC(=O)N(c3cccc(F)c3)C2)cc(OCC)c1OCC
InChIInChI=1S/C23H27FN2O5/c1-4-29-19-10-15(11-20(30-5-2)22(19)31-6-3)23(28)25-17-13-21(27)26(14-17)18-9-7-8-16(24)12-18/h7-12,17H,4-6,13-14H2,1-3H3,(H,25,28)
InChIKeyMSKDTCOKCKSBOW-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.56
Rot. Bonds9

About 3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide

3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 43971125) has the molecular formula C23H27FN2O5 and a molecular weight of 430.48 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID43971125
Molecular FormulaC23H27FN2O5
Molecular Weight430.48 g/mol
Exact Mass430.19
IUPAC Name3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCCOc1cc(C(=O)NC2CC(=O)N(c3cccc(F)c3)C2)cc(OCC)c1OCC
InChIInChI=1S/C23H27FN2O5/c1-4-29-19-10-15(11-20(30-5-2)22(19)31-6-3)23(28)25-17-13-21(27)26(14-17)18-9-7-8-16(24)12-18/h7-12,17H,4-6,13-14H2,1-3H3,(H,25,28)
InChIKeyMSKDTCOKCKSBOW-UHFFFAOYSA-N
XLogP3.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564371
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 43971113
2-(4-ethoxyphenoxy)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563476
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 7563379
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
3,4-difluoro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563424
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dimethoxybenzamide
CID 43971122
1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546969
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337
N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
CID 18564403
3,4,5-trimethoxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970933
3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548122

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 43971125) is 3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide is CCOc1cc(C(=O)NC2CC(=O)N(c3cccc(F)c3)C2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is MSKDTCOKCKSBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O5/c1-4-29-19-10-15(11-20(30-5-2)22(19)31-6-3)23(28)25-17-13-21(27)26(14-17)18-9-7-8-16(24)12-18/h7-12,17H,4-6,13-14H2,1-3H3,(H,25,28).
What are the key properties of 3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 430.48 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 43971125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).