1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide

C18H15FN2O3 — CID 113212988

IUPAC1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cn(C(C)=O)c2cc(F)ccc12
InChIInChI=1S/C18H15FN2O3/c1-11(22)21-10-14(13-8-7-12(19)9-16(13)21)18(23)20-15-5-3-4-6-17(15)24-2/h3-10H,1-2H3,(H,20,23)
InChIKeyVNGLHXHHKAVFQN-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.70
Rot. Bonds3

About 1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide

1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide (PubChem CID 113212988) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
PubChem CID113212988
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cn(C(C)=O)c2cc(F)ccc12
InChIInChI=1S/C18H15FN2O3/c1-11(22)21-10-14(13-8-7-12(19)9-16(13)21)18(23)20-15-5-3-4-6-17(15)24-2/h3-10H,1-2H3,(H,20,23)
InChIKeyVNGLHXHHKAVFQN-UHFFFAOYSA-N
XLogP3.70
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-6-fluoro-N-(2-methoxyphenyl)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-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide
CID 113212918
1-acetyl-6-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
CID 113213173
1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461
methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213188
1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide
CID 113212889
1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
CID 113212814
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
1-acetyl-N-(1,3-benzodioxol-5-yl)-6-fluoroindole-3-carboxamide
CID 113213026
1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212938
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
CID 113212636
methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate
CID 113212472

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide (CID 113212988) is 1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide is COc1ccccc1NC(=O)c1cn(C(C)=O)c2cc(F)ccc12.
What is the InChIKey of 1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide?
The InChIKey is VNGLHXHHKAVFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11(22)21-10-14(13-8-7-12(19)9-16(13)21)18(23)20-15-5-3-4-6-17(15)24-2/h3-10H,1-2H3,(H,20,23).
What are the key properties of 1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide?
1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide is sourced from PubChem (CID 113212988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).