1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide

C20H19FN2O4 — CID 113212918

IUPAC1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C(C)=O)c3cc(F)ccc23)cc1OC
InChIInChI=1S/C20H19FN2O4/c1-12(24)23-11-16(15-6-5-14(21)9-17(15)23)20(25)22-10-13-4-7-18(26-2)19(8-13)27-3/h4-9,11H,10H2,1-3H3,(H,22,25)
InChIKeyCAXNGHYHTVHOSZ-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.39
Rot. Bonds5

About 1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide

1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide (PubChem CID 113212918) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide
PubChem CID113212918
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C(C)=O)c3cc(F)ccc23)cc1OC
InChIInChI=1S/C20H19FN2O4/c1-12(24)23-11-16(15-6-5-14(21)9-17(15)23)20(25)22-10-13-4-7-18(26-2)19(8-13)27-3/h4-9,11H,10H2,1-3H3,(H,22,25)
InChIKeyCAXNGHYHTVHOSZ-UHFFFAOYSA-N
XLogP3.39
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212938
1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461
1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 113212364
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
CID 45490502
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide
CID 60518362
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22422707
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 9404180
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110372894

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide (CID 113212918) is 1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide is COc1ccc(CNC(=O)c2cn(C(C)=O)c3cc(F)ccc23)cc1OC.
What is the InChIKey of 1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide?
The InChIKey is CAXNGHYHTVHOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-12(24)23-11-16(15-6-5-14(21)9-17(15)23)20(25)22-10-13-4-7-18(26-2)19(8-13)27-3/h4-9,11H,10H2,1-3H3,(H,22,25).
What are the key properties of 1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide?
1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide is sourced from PubChem (CID 113212918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).