N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide

C16H13FN2O — CID 3882765

IUPACN-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3)cc2c1
InChIInChI=1S/C16H13FN2O/c1-10-2-7-14-11(8-10)9-15(19-14)16(20)18-13-5-3-12(17)4-6-13/h2-9,19H,1H3,(H,18,20)
InChIKeyVAORNMWYMRWFNM-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.87
Rot. Bonds2

About N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide

N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide (PubChem CID 3882765) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide
PubChem CID3882765
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3)cc2c1
InChIInChI=1S/C16H13FN2O/c1-10-2-7-14-11(8-10)9-15(19-14)16(20)18-13-5-3-12(17)4-6-13/h2-9,19H,1H3,(H,18,20)
InChIKeyVAORNMWYMRWFNM-UHFFFAOYSA-N
XLogP3.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide (CID 3882765) is N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3)cc2c1.
What is the InChIKey of N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide?
The InChIKey is VAORNMWYMRWFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-2-7-14-11(8-10)9-15(19-14)16(20)18-13-5-3-12(17)4-6-13/h2-9,19H,1H3,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide?
N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 3882765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).