5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide

C18H17FN2O — CID 2823639

IUPAC5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)Nc3ccc(C)c(F)c3)cc2c1
InChIInChI=1S/C18H17FN2O/c1-3-12-5-7-16-13(8-12)9-17(21-16)18(22)20-14-6-4-11(2)15(19)10-14/h4-10,21H,3H2,1-2H3,(H,20,22)
InChIKeyBAMUNEQGWDNVSD-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.43
Rot. Bonds3

About 5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide

5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide (PubChem CID 2823639) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide
PubChem CID2823639
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide
SMILESCCc1ccc2[nH]c(C(=O)Nc3ccc(C)c(F)c3)cc2c1
InChIInChI=1S/C18H17FN2O/c1-3-12-5-7-16-13(8-12)9-17(21-16)18(22)20-14-6-4-11(2)15(19)10-14/h4-10,21H,3H2,1-2H3,(H,20,22)
InChIKeyBAMUNEQGWDNVSD-UHFFFAOYSA-N
XLogP4.43
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide (CID 2823639) is 5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide is CCc1ccc2[nH]c(C(=O)Nc3ccc(C)c(F)c3)cc2c1.
What is the InChIKey of 5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide?
The InChIKey is BAMUNEQGWDNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-3-12-5-7-16-13(8-12)9-17(21-16)18(22)20-14-6-4-11(2)15(19)10-14/h4-10,21H,3H2,1-2H3,(H,20,22).
What are the key properties of 5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide?
5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-fluoro-4-methylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 2823639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).