6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide

C18H15F2IN2O — CID 89434813

IUPAC6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide
SMILESCc1cc(CI)c(NC(=O)c2cn(C)c3cc(F)ccc23)cc1F
InChIInChI=1S/C18H15F2IN2O/c1-10-5-11(8-21)16(7-15(10)20)22-18(24)14-9-23(2)17-6-12(19)3-4-13(14)17/h3-7,9H,8H2,1-2H3,(H,22,24)
InChIKeyMOMFJCPZQGLFDQ-UHFFFAOYSA-N
MW440.23 g/mol
LogP4.95
Rot. Bonds3

About 6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide

6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide (PubChem CID 89434813) has the molecular formula C18H15F2IN2O and a molecular weight of 440.23 g/mol. Its IUPAC name is 6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide
PubChem CID89434813
Molecular FormulaC18H15F2IN2O
Molecular Weight440.23 g/mol
Exact Mass440.02
IUPAC Name6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide
SMILESCc1cc(CI)c(NC(=O)c2cn(C)c3cc(F)ccc23)cc1F
InChIInChI=1S/C18H15F2IN2O/c1-10-5-11(8-21)16(7-15(10)20)22-18(24)14-9-23(2)17-6-12(19)3-4-13(14)17/h3-7,9H,8H2,1-2H3,(H,22,24)
InChIKeyMOMFJCPZQGLFDQ-UHFFFAOYSA-N
XLogP4.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.23
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide (CID 89434813) is 6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide is Cc1cc(CI)c(NC(=O)c2cn(C)c3cc(F)ccc23)cc1F.
What is the InChIKey of 6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide?
The InChIKey is MOMFJCPZQGLFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2IN2O/c1-10-5-11(8-21)16(7-15(10)20)22-18(24)14-9-23(2)17-6-12(19)3-4-13(14)17/h3-7,9H,8H2,1-2H3,(H,22,24).
What are the key properties of 6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide?
6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide has a molecular weight of 440.23 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[5-fluoro-2-(iodomethyl)-4-methylphenyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 89434813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).