1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide

C19H17ClN2O2 — CID 113212614

IUPAC1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide
SMILESCCN(C(=O)c1cn(C(C)=O)c2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C19H17ClN2O2/c1-3-21(15-7-5-4-6-8-15)19(24)17-12-22(13(2)23)18-10-9-14(20)11-16(17)18/h4-12H,3H2,1-2H3
InChIKeyJSHDCWBLEMESEO-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.62
Rot. Bonds3

About 1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide

1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide (PubChem CID 113212614) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide
PubChem CID113212614
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide
SMILESCCN(C(=O)c1cn(C(C)=O)c2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C19H17ClN2O2/c1-3-21(15-7-5-4-6-8-15)19(24)17-12-22(13(2)23)18-10-9-14(20)11-16(17)18/h4-12H,3H2,1-2H3
InChIKeyJSHDCWBLEMESEO-UHFFFAOYSA-N
XLogP4.62
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-ethyl-6-fluoro-N-phenylindole-3-carboxamide
CID 113212964
1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 113212543
2-(1-acetyl-5-chloroindol-3-yl)acetic acid
CID 175397718
1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212590
1-acetyl-5-chloro-N-(2-ethoxyphenyl)indole-3-carboxamide
CID 113212636
1-(5-chloro-3-hydroxyindol-1-yl)ethanone
CID 12825917
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
CID 22334703
6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide
CID 113205333
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
CID 29097744
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186619
2-(2,5-dichlorophenoxy)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 46194702

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide?
The IUPAC name of 1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide (CID 113212614) is 1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide is CCN(C(=O)c1cn(C(C)=O)c2ccc(Cl)cc12)c1ccccc1.
What is the InChIKey of 1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide?
The InChIKey is JSHDCWBLEMESEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-21(15-7-5-4-6-8-15)19(24)17-12-22(13(2)23)18-10-9-14(20)11-16(17)18/h4-12H,3H2,1-2H3.
What are the key properties of 1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide?
1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-ethyl-N-phenylindole-3-carboxamide is sourced from PubChem (CID 113212614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).