1-acetyl-5-methoxy-N-phenylindole-3-carboxamide

C18H16N2O3 — CID 113212768

IUPAC1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1ccccc1)cn2C(C)=O
InChIInChI=1S/C18H16N2O3/c1-12(21)20-11-16(15-10-14(23-2)8-9-17(15)20)18(22)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,22)
InChIKeyYKNDCMHESWJAFW-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.56
Rot. Bonds3

About 1-acetyl-5-methoxy-N-phenylindole-3-carboxamide

1-acetyl-5-methoxy-N-phenylindole-3-carboxamide (PubChem CID 113212768) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-acetyl-5-methoxy-N-phenylindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
PubChem CID113212768
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1ccccc1)cn2C(C)=O
InChIInChI=1S/C18H16N2O3/c1-12(21)20-11-16(15-10-14(23-2)8-9-17(15)20)18(22)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,22)
InChIKeyYKNDCMHESWJAFW-UHFFFAOYSA-N
XLogP3.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
CID 113212814
1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide
CID 113212714
1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide
CID 113212780
1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
CID 113212789
1-acetyl-N-butan-2-yl-5-methoxyindole-3-carboxamide
CID 113212691
1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
CID 113212689
1-acetyl-5-chloro-N-(2,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212642
N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-methoxy-N-phenylindole-3-carboxamide?
The IUPAC name of 1-acetyl-5-methoxy-N-phenylindole-3-carboxamide (CID 113212768) is 1-acetyl-5-methoxy-N-phenylindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-methoxy-N-phenylindole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-methoxy-N-phenylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)Nc1ccccc1)cn2C(C)=O.
What is the InChIKey of 1-acetyl-5-methoxy-N-phenylindole-3-carboxamide?
The InChIKey is YKNDCMHESWJAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)20-11-16(15-10-14(23-2)8-9-17(15)20)18(22)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,22).
What are the key properties of 1-acetyl-5-methoxy-N-phenylindole-3-carboxamide?
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-methoxy-N-phenylindole-3-carboxamide is sourced from PubChem (CID 113212768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).