6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide

C15H15ClF2N2O2 — CID 162193317

IUPAC6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide
SMILESCc1cc2c(CCCC(=O)C(F)F)c(C(N)=O)[nH]c2cc1Cl
InChIInChI=1S/C15H15ClF2N2O2/c1-7-5-9-8(3-2-4-12(21)14(17)18)13(15(19)22)20-11(9)6-10(7)16/h5-6,14,20H,2-4H2,1H3,(H2,19,22)
InChIKeyZQPMLSGTKTVDNQ-UHFFFAOYSA-N
MW328.75 g/mol
LogP3.39
Rot. Bonds6

About 6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide

6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide (PubChem CID 162193317) has the molecular formula C15H15ClF2N2O2 and a molecular weight of 328.75 g/mol. Its IUPAC name is 6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide
PubChem CID162193317
Molecular FormulaC15H15ClF2N2O2
Molecular Weight328.75 g/mol
Exact Mass328.08
IUPAC Name6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide
SMILESCc1cc2c(CCCC(=O)C(F)F)c(C(N)=O)[nH]c2cc1Cl
InChIInChI=1S/C15H15ClF2N2O2/c1-7-5-9-8(3-2-4-12(21)14(17)18)13(15(19)22)20-11(9)6-10(7)16/h5-6,14,20H,2-4H2,1H3,(H2,19,22)
InChIKeyZQPMLSGTKTVDNQ-UHFFFAOYSA-N
XLogP3.39
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide (CID 162193317) is 6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide is Cc1cc2c(CCCC(=O)C(F)F)c(C(N)=O)[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide?
The InChIKey is ZQPMLSGTKTVDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O2/c1-7-5-9-8(3-2-4-12(21)14(17)18)13(15(19)22)20-11(9)6-10(7)16/h5-6,14,20H,2-4H2,1H3,(H2,19,22).
What are the key properties of 6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide?
6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide has a molecular weight of 328.75 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 162193317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).