1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide

C19H17ClN2O3 — CID 113212636

IUPAC1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cn(C(C)=O)c2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN2O3/c1-3-25-18-7-5-4-6-16(18)21-19(24)15-11-22(12(2)23)17-9-8-13(20)10-14(15)17/h4-11H,3H2,1-2H3,(H,21,24)
InChIKeyGJKAIKUCSFCZSM-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.61
Rot. Bonds4

About 1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide

1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide (PubChem CID 113212636) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
PubChem CID113212636
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cn(C(C)=O)c2ccc(Cl)cc12
InChIInChI=1S/C19H17ClN2O3/c1-3-25-18-7-5-4-6-16(18)21-19(24)15-11-22(12(2)23)17-9-8-13(20)10-14(15)17/h4-11H,3H2,1-2H3,(H,21,24)
InChIKeyGJKAIKUCSFCZSM-UHFFFAOYSA-N
XLogP4.61
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-6-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
CID 113213173
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
methyl 2-[(1-acetyl-6-chloroindole-3-carbonyl)amino]benzoate
CID 113213188
1-acetyl-5-chloro-N-(3,4-dimethoxyphenyl)indole-3-carboxamide
CID 113212643
1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 113212543
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
CID 113212988
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 100738706
N-(4-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955185
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide (CID 113212636) is 1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide is CCOc1ccccc1NC(=O)c1cn(C(C)=O)c2ccc(Cl)cc12.
What is the InChIKey of 1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide?
The InChIKey is GJKAIKUCSFCZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-3-25-18-7-5-4-6-16(18)21-19(24)15-11-22(12(2)23)17-9-8-13(20)10-14(15)17/h4-11H,3H2,1-2H3,(H,21,24).
What are the key properties of 1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide?
1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide is sourced from PubChem (CID 113212636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).