N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide

C21H23FN2O3 — CID 102180679

IUPACN-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(CN2C(=O)C(N(C(C)=O)C(C)C)c3cccc(F)c32)cc1
InChIInChI=1S/C21H23FN2O3/c1-13(2)24(14(3)25)20-17-6-5-7-18(22)19(17)23(21(20)26)12-15-8-10-16(27-4)11-9-15/h5-11,13,20H,12H2,1-4H3
InChIKeyVADPIJJHANIMDQ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.68
Rot. Bonds5

About N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide

N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide (PubChem CID 102180679) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide
PubChem CID102180679
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(CN2C(=O)C(N(C(C)=O)C(C)C)c3cccc(F)c32)cc1
InChIInChI=1S/C21H23FN2O3/c1-13(2)24(14(3)25)20-17-6-5-7-18(22)19(17)23(21(20)26)12-15-8-10-16(27-4)11-9-15/h5-11,13,20H,12H2,1-4H3
InChIKeyVADPIJJHANIMDQ-UHFFFAOYSA-N
XLogP3.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,3,5-trione
CID 11825743
1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one
CID 71725717
(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-5-methyl-2-propan-2-yl-2H-pyrazin-3-one
CID 16725973
(3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 11047909
(2S)-6-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-2-propan-2-yl-2H-pyrazin-3-one
CID 101213278
tert-butyl 2-[(3R,4R)-8-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate
CID 102523416
[(7R)-5-[(4-methoxyphenyl)methyl]-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamic acid
CID 68813403
tert-butyl 7'-fluoro-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate
CID 156806432
2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene
CID 55149547
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
(1R,2S,6S,7R)-4-[(4-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98094774
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261

Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide (CID 102180679) is N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide is COc1ccc(CN2C(=O)C(N(C(C)=O)C(C)C)c3cccc(F)c32)cc1.
What is the InChIKey of N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide?
The InChIKey is VADPIJJHANIMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-13(2)24(14(3)25)20-17-6-5-7-18(22)19(17)23(21(20)26)12-15-8-10-16(27-4)11-9-15/h5-11,13,20H,12H2,1-4H3.
What are the key properties of N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide?
N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide has a molecular weight of 370.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 102180679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).