N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide

C18H17FN2O — CID 2823642

IUPACN-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3ccc(C)c(F)c3)[nH]c2c1
InChIInChI=1S/C18H17FN2O/c1-10-6-12(3)14-9-17(21-16(14)7-10)18(22)20-13-5-4-11(2)15(19)8-13/h4-9,21H,1-3H3,(H,20,22)
InChIKeyPFLKBQKEXBSCDQ-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.48
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide

N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 2823642) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID2823642
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3ccc(C)c(F)c3)[nH]c2c1
InChIInChI=1S/C18H17FN2O/c1-10-6-12(3)14-9-17(21-16(14)7-10)18(22)20-13-5-4-11(2)15(19)8-13/h4-9,21H,1-3H3,(H,20,22)
InChIKeyPFLKBQKEXBSCDQ-UHFFFAOYSA-N
XLogP4.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide (CID 2823642) is N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)Nc3ccc(C)c(F)c3)[nH]c2c1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is PFLKBQKEXBSCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-10-6-12(3)14-9-17(21-16(14)7-10)18(22)20-13-5-4-11(2)15(19)8-13/h4-9,21H,1-3H3,(H,20,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide?
N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 2823642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).