1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide

C19H17ClN2O4 — CID 113212643

IUPAC1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C(C)=O)c3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C19H17ClN2O4/c1-11(23)22-10-15(14-8-12(20)4-6-16(14)22)19(24)21-13-5-7-17(25-2)18(9-13)26-3/h4-10H,1-3H3,(H,21,24)
InChIKeyWBLIVNFOQMRSRS-UHFFFAOYSA-N
MW372.81 g/mol
LogP4.22
Rot. Bonds4

About 1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide

1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide (PubChem CID 113212643) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide
PubChem CID113212643
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C(C)=O)c3ccc(Cl)cc23)cc1OC
InChIInChI=1S/C19H17ClN2O4/c1-11(23)22-10-15(14-8-12(20)4-6-16(14)22)19(24)21-13-5-7-17(25-2)18(9-13)26-3/h4-10H,1-3H3,(H,21,24)
InChIKeyWBLIVNFOQMRSRS-UHFFFAOYSA-N
XLogP4.22
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
1-acetyl-5-chloro-N-(2,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212642
1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
CID 113212672
1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide
CID 113212552
N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide
CID 113213187
1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
CID 113212814
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
methyl 3-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213189
1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide
CID 113213191

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide (CID 113212643) is 1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide is COc1ccc(NC(=O)c2cn(C(C)=O)c3ccc(Cl)cc23)cc1OC.
What is the InChIKey of 1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide?
The InChIKey is WBLIVNFOQMRSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-11(23)22-10-15(14-8-12(20)4-6-16(14)22)19(24)21-13-5-7-17(25-2)18(9-13)26-3/h4-10H,1-3H3,(H,21,24).
What are the key properties of 1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide?
1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide is sourced from PubChem (CID 113212643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).