3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C25H23FN2O4 — CID 30346561

IUPAC3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)ccc1N1CCCC1=O
InChIInChI=1S/C25H23FN2O4/c1-31-23-15-20(11-12-22(23)28-13-3-6-24(28)29)27-25(30)18-4-2-5-21(14-18)32-16-17-7-9-19(26)10-8-17/h2,4-5,7-12,14-15H,3,6,13,16H2,1H3,(H,27,30)
InChIKeyCJABPWXJCGLMSG-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.79
Rot. Bonds7

About 3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 30346561) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID30346561
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC Name3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)ccc1N1CCCC1=O
InChIInChI=1S/C25H23FN2O4/c1-31-23-15-20(11-12-22(23)28-13-3-6-24(28)29)27-25(30)18-4-2-5-21(14-18)32-16-17-7-9-19(26)10-8-17/h2,4-5,7-12,14-15H,3,6,13,16H2,1H3,(H,27,30)
InChIKeyCJABPWXJCGLMSG-UHFFFAOYSA-N
XLogP4.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 7687475
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
5-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzamide
CID 29325483
4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55645760
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029
3-cyclopentyloxy-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 86939694
5-bromo-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686704

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 30346561) is 3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is COc1cc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)ccc1N1CCCC1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is CJABPWXJCGLMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-31-23-15-20(11-12-22(23)28-13-3-6-24(28)29)27-25(30)18-4-2-5-21(14-18)32-16-17-7-9-19(26)10-8-17/h2,4-5,7-12,14-15H,3,6,13,16H2,1H3,(H,27,30).
What are the key properties of 3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 434.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 30346561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).