N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide

C25H23FN2O4 — CID 126475737

IUPACN-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide
SMILESCOc1ccc(C2(Cc3ccc(NC(C)=O)cc3)C(=O)Nc3ccc(F)cc32)c(OC)c1
InChIInChI=1S/C25H23FN2O4/c1-15(29)27-18-7-4-16(5-8-18)14-25(20-10-9-19(31-2)13-23(20)32-3)21-12-17(26)6-11-22(21)28-24(25)30/h4-13H,14H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyTZYXUCRUOSIRFI-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.28
Rot. Bonds6

About N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide

N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide (PubChem CID 126475737) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide
PubChem CID126475737
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC NameN-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide
SMILESCOc1ccc(C2(Cc3ccc(NC(C)=O)cc3)C(=O)Nc3ccc(F)cc32)c(OC)c1
InChIInChI=1S/C25H23FN2O4/c1-15(29)27-18-7-4-16(5-8-18)14-25(20-10-9-19(31-2)13-23(20)32-3)21-12-17(26)6-11-22(21)28-24(25)30/h4-13H,14H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyTZYXUCRUOSIRFI-UHFFFAOYSA-N
XLogP4.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 92726677
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
(2'S,3S)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52897645
(2'S,3R)-2'-(2,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52897641
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
(3R,3'S,5'S)-N-(2,5-dimethoxyphenyl)-5-fluoro-5'-[(1R)-1-hydroxyethyl]-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 51808887
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride
CID 162671228
5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide (CID 126475737) is N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide is COc1ccc(C2(Cc3ccc(NC(C)=O)cc3)C(=O)Nc3ccc(F)cc32)c(OC)c1.
What is the InChIKey of N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide?
The InChIKey is TZYXUCRUOSIRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-15(29)27-18-7-4-16(5-8-18)14-25(20-10-9-19(31-2)13-23(20)32-3)21-12-17(26)6-11-22(21)28-24(25)30/h4-13H,14H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide?
N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide has a molecular weight of 434.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2,4-dimethoxyphenyl)-5-fluoro-2-oxo-1H-indol-3-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 126475737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).