1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide

C20H19FN2O4 — CID 113212396

IUPAC1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cn(C(C)=O)c3ccc(F)cc23)cc1
InChIInChI=1S/C20H19FN2O4/c1-13(24)23-12-18(17-11-14(21)3-8-19(17)23)20(25)22-9-10-27-16-6-4-15(26-2)5-7-16/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)
InChIKeyKVWQOSLKMCKIJG-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.26
Rot. Bonds6

About 1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide

1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide (PubChem CID 113212396) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide
PubChem CID113212396
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cn(C(C)=O)c3ccc(F)cc23)cc1
InChIInChI=1S/C20H19FN2O4/c1-13(24)23-12-18(17-11-14(21)3-8-19(17)23)20(25)22-9-10-27-16-6-4-15(26-2)5-7-16/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)
InChIKeyKVWQOSLKMCKIJG-UHFFFAOYSA-N
XLogP3.26
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
CID 113212689
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461
1-[5-fluoro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]indol-1-yl]ethanone
CID 113212411
5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8935487
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691288
1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212938
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
1-acetyl-N-butan-2-yl-5-methoxyindole-3-carboxamide
CID 113212691
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide (CID 113212396) is 1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide is COc1ccc(OCCNC(=O)c2cn(C(C)=O)c3ccc(F)cc23)cc1.
What is the InChIKey of 1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide?
The InChIKey is KVWQOSLKMCKIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-13(24)23-12-18(17-11-14(21)3-8-19(17)23)20(25)22-9-10-27-16-6-4-15(26-2)5-7-16/h3-8,11-12H,9-10H2,1-2H3,(H,22,25).
What are the key properties of 1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide?
1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide is sourced from PubChem (CID 113212396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).