1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide

C18H14ClFN2O3 — CID 113212801

IUPAC1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1ccc(F)c(Cl)c1)cn2C(C)=O
InChIInChI=1S/C18H14ClFN2O3/c1-10(23)22-9-14(13-8-12(25-2)4-6-17(13)22)18(24)21-11-3-5-16(20)15(19)7-11/h3-9H,1-2H3,(H,21,24)
InChIKeyVTKSKBNZHIFLEC-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.35
Rot. Bonds3

About 1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide

1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide (PubChem CID 113212801) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
PubChem CID113212801
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1ccc(F)c(Cl)c1)cn2C(C)=O
InChIInChI=1S/C18H14ClFN2O3/c1-10(23)22-9-14(13-8-12(25-2)4-6-17(13)22)18(24)21-11-3-5-16(20)15(19)7-11/h3-9H,1-2H3,(H,21,24)
InChIKeyVTKSKBNZHIFLEC-UHFFFAOYSA-N
XLogP4.35
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212643
1-acetyl-5-chloro-N-(2,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212642
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
CID 113212814
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103
1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide
CID 113212780
1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
CID 113212672

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide?
The IUPAC name of 1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide (CID 113212801) is 1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)Nc1ccc(F)c(Cl)c1)cn2C(C)=O.
What is the InChIKey of 1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide?
The InChIKey is VTKSKBNZHIFLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-10(23)22-9-14(13-8-12(25-2)4-6-17(13)22)18(24)21-11-3-5-16(20)15(19)7-11/h3-9H,1-2H3,(H,21,24).
What are the key properties of 1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide?
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide has a molecular weight of 360.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide is sourced from PubChem (CID 113212801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).