N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide

C19H16FN3O3 — CID 113212468

IUPACN-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn(C(C)=O)c3ccc(F)cc23)cc1
InChIInChI=1S/C19H16FN3O3/c1-11(24)21-14-4-6-15(7-5-14)22-19(26)17-10-23(12(2)25)18-8-3-13(20)9-16(17)18/h3-10H,1-2H3,(H,21,24)(H,22,26)
InChIKeyLPJPCLDYLRAUQQ-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.65
Rot. Bonds3

About N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide

N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide (PubChem CID 113212468) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
PubChem CID113212468
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC NameN-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cn(C(C)=O)c3ccc(F)cc23)cc1
InChIInChI=1S/C19H16FN3O3/c1-11(24)21-14-4-6-15(7-5-14)22-19(26)17-10-23(12(2)25)18-8-3-13(20)9-16(17)18/h3-10H,1-2H3,(H,21,24)(H,22,26)
InChIKeyLPJPCLDYLRAUQQ-UHFFFAOYSA-N
XLogP3.65
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide
CID 113212477
1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 113213013
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide
CID 113212446
N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide
CID 113213187
1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide
CID 113213002
1-acetyl-N-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carboxamide
CID 113213026
methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate
CID 113212472
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 113212364
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide (CID 113212468) is N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cn(C(C)=O)c3ccc(F)cc23)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide?
The InChIKey is LPJPCLDYLRAUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-11(24)21-14-4-6-15(7-5-14)22-19(26)17-10-23(12(2)25)18-8-3-13(20)9-16(17)18/h3-10H,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide?
N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide is sourced from PubChem (CID 113212468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).