1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide

C19H15FN2O3 — CID 113213002

IUPAC1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cn(C(C)=O)c3cc(F)ccc23)c1
InChIInChI=1S/C19H15FN2O3/c1-11(23)13-4-3-5-15(8-13)21-19(25)17-10-22(12(2)24)18-9-14(20)6-7-16(17)18/h3-10H,1-2H3,(H,21,25)
InChIKeyRDHCSIDMUZQXGJ-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.90
Rot. Bonds3

About 1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide

1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide (PubChem CID 113213002) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide
PubChem CID113213002
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cn(C(C)=O)c3cc(F)ccc23)c1
InChIInChI=1S/C19H15FN2O3/c1-11(23)13-4-3-5-15(8-13)21-19(25)17-10-22(12(2)24)18-9-14(20)6-7-16(17)18/h3-10H,1-2H3,(H,21,25)
InChIKeyRDHCSIDMUZQXGJ-UHFFFAOYSA-N
XLogP3.90
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 113213013
1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
CID 113212988
N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
1-(1,3-diacetylindol-6-yl)ethanone
CID 12823062
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461
N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide
CID 82773116
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide
CID 113212477
N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide
CID 9095798
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide?
The IUPAC name of 1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide (CID 113213002) is 1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cn(C(C)=O)c3cc(F)ccc23)c1.
What is the InChIKey of 1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide?
The InChIKey is RDHCSIDMUZQXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-11(23)13-4-3-5-15(8-13)21-19(25)17-10-22(12(2)24)18-9-14(20)6-7-16(17)18/h3-10H,1-2H3,(H,21,25).
What are the key properties of 1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide?
1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide is sourced from PubChem (CID 113213002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).