1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide

C19H17FN2O2 — CID 113212964

IUPAC1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide
SMILESCCN(C(=O)c1cn(C(C)=O)c2cc(F)ccc12)c1ccccc1
InChIInChI=1S/C19H17FN2O2/c1-3-21(15-7-5-4-6-8-15)19(24)17-12-22(13(2)23)18-11-14(20)9-10-16(17)18/h4-12H,3H2,1-2H3
InChIKeyKYIAJOYPFHDTEG-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.11
Rot. Bonds3

About 1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide

1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide (PubChem CID 113212964) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide
PubChem CID113212964
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide
SMILESCCN(C(=O)c1cn(C(C)=O)c2cc(F)ccc12)c1ccccc1
InChIInChI=1S/C19H17FN2O2/c1-3-21(15-7-5-4-6-8-15)19(24)17-12-22(13(2)23)18-11-14(20)9-10-16(17)18/h4-12H,3H2,1-2H3
InChIKeyKYIAJOYPFHDTEG-UHFFFAOYSA-N
XLogP4.11
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide
CID 113212614
1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide
CID 113212889
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
CID 113212988
N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
CID 22334703
3-chloro-N-ethyl-6-fluoro-N-phenyl-1-benzothiophene-2-carboxamide
CID 18190734
1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide
CID 113212403
1-acetyl-N-(3-acetylphenyl)-6-fluoroindole-3-carboxamide
CID 113213002
2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
CID 63049276
N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide
CID 112817546
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592661
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
CID 29097744

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide?
The IUPAC name of 1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide (CID 113212964) is 1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide is CCN(C(=O)c1cn(C(C)=O)c2cc(F)ccc12)c1ccccc1.
What is the InChIKey of 1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide?
The InChIKey is KYIAJOYPFHDTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-3-21(15-7-5-4-6-8-15)19(24)17-12-22(13(2)23)18-11-14(20)9-10-16(17)18/h4-12H,3H2,1-2H3.
What are the key properties of 1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide?
1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide is sourced from PubChem (CID 113212964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).