6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

C22H21FN2O4 — CID 4971919

IUPAC6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCOc1ccc2c(CCNC(=O)C3(C)Cc4cc(F)ccc4C(=O)O3)c[nH]c2c1
InChIInChI=1S/C22H21FN2O4/c1-22(11-14-9-15(23)3-5-18(14)20(26)29-22)21(27)24-8-7-13-12-25-19-10-16(28-2)4-6-17(13)19/h3-6,9-10,12,25H,7-8,11H2,1-2H3,(H,24,27)
InChIKeyWXINSJWNJBHVSO-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.15
Rot. Bonds5

About 6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 4971919) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is 6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID4971919
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC Name6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCOc1ccc2c(CCNC(=O)C3(C)Cc4cc(F)ccc4C(=O)O3)c[nH]c2c1
InChIInChI=1S/C22H21FN2O4/c1-22(11-14-9-15(23)3-5-18(14)20(26)29-22)21(27)24-8-7-13-12-25-19-10-16(28-2)4-6-17(13)19/h3-6,9-10,12,25H,7-8,11H2,1-2H3,(H,24,27)
InChIKeyWXINSJWNJBHVSO-UHFFFAOYSA-N
XLogP3.15
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide with MolForge

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Related Compounds

N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(5-methylfuran-2-yl)propanamide
CID 4893594
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 699102
3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide
CID 4972520
2-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111888554
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide
CID 172894946
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560
N-(3,4-dimethylphenyl)-6-fluoro-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 4974992
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 4898664
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 16649057

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CID 4971919) is 6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is COc1ccc2c(CCNC(=O)C3(C)Cc4cc(F)ccc4C(=O)O3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is WXINSJWNJBHVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-22(11-14-9-15(23)3-5-18(14)20(26)29-22)21(27)24-8-7-13-12-25-19-10-16(28-2)4-6-17(13)19/h3-6,9-10,12,25H,7-8,11H2,1-2H3,(H,24,27).
What are the key properties of 6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 4971919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).