6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide

C17H15ClN2O2 — CID 113206447

IUPAC6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-22-13-6-4-12(5-7-13)20-17(21)15-10-19-16-9-11(18)3-8-14(15)16/h3-10,19H,2H2,1H3,(H,20,21)
InChIKeyVIJWZRKAYDTOGP-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.47
Rot. Bonds4

About 6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide

6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide (PubChem CID 113206447) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide
PubChem CID113206447
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-22-13-6-4-12(5-7-13)20-17(21)15-10-19-16-9-11(18)3-8-14(15)16/h3-10,19H,2H2,1H3,(H,20,21)
InChIKeyVIJWZRKAYDTOGP-UHFFFAOYSA-N
XLogP4.47
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 113208305
6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 113206465
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
N-(4-ethoxyphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208671
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
6-methoxy-N-(4-phenylmethoxyphenyl)-1H-indole-3-carboxamide
CID 113206666
ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate
CID 75976916
N-butan-2-yl-6-chloro-1H-indole-3-carboxamide
CID 113206344
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-3-carboxamide
CID 113206502
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206630
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide
CID 1118900

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide (CID 113206447) is 6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide is CCOc1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of 6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide?
The InChIKey is VIJWZRKAYDTOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-22-13-6-4-12(5-7-13)20-17(21)15-10-19-16-9-11(18)3-8-14(15)16/h3-10,19H,2H2,1H3,(H,20,21).
What are the key properties of 6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide?
6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113206447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).