1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide

C19H17FN2O2 — CID 113212889

IUPAC1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NC(C)c2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C19H17FN2O2/c1-12(14-6-4-3-5-7-14)21-19(24)17-11-22(13(2)23)18-10-15(20)8-9-16(17)18/h3-12H,1-2H3,(H,21,24)
InChIKeyOGFBZEMWYVOMRY-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.93
Rot. Bonds3

About 1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide

1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide (PubChem CID 113212889) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide
PubChem CID113212889
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NC(C)c2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C19H17FN2O2/c1-12(14-6-4-3-5-7-14)21-19(24)17-11-22(13(2)23)18-10-15(20)8-9-16(17)18/h3-12H,1-2H3,(H,21,24)
InChIKeyOGFBZEMWYVOMRY-UHFFFAOYSA-N
XLogP3.93
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide
CID 113212714
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide
CID 113213002
1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide
CID 175153955
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
1-acetyl-6-fluoro-N-(4-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 113213013
2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide
CID 2333383
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 103601942

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide (CID 113212889) is 1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide is CC(=O)n1cc(C(=O)NC(C)c2ccccc2)c2ccc(F)cc21.
What is the InChIKey of 1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide?
The InChIKey is OGFBZEMWYVOMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12(14-6-4-3-5-7-14)21-19(24)17-11-22(13(2)23)18-10-15(20)8-9-16(17)18/h3-12H,1-2H3,(H,21,24).
What are the key properties of 1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide?
1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide is sourced from PubChem (CID 113212889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).