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

C17H19F3N2O2 — CID 157122783

IUPAC3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide
SMILESCCNC(=O)c1[nH]c2cc(F)c(C)cc2c1CCCC(=O)C(F)F
InChIInChI=1S/C17H19F3N2O2/c1-3-21-17(24)15-10(5-4-6-14(23)16(19)20)11-7-9(2)12(18)8-13(11)22-15/h7-8,16,22H,3-6H2,1-2H3,(H,21,24)
InChIKeyAIDZBCMSYPGCNS-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.52
Rot. Bonds7

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

3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide (PubChem CID 157122783) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide
PubChem CID157122783
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide
SMILESCCNC(=O)c1[nH]c2cc(F)c(C)cc2c1CCCC(=O)C(F)F
InChIInChI=1S/C17H19F3N2O2/c1-3-21-17(24)15-10(5-4-6-14(23)16(19)20)11-7-9(2)12(18)8-13(11)22-15/h7-8,16,22H,3-6H2,1-2H3,(H,21,24)
InChIKeyAIDZBCMSYPGCNS-UHFFFAOYSA-N
XLogP3.52
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.52
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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Related Compounds

6-chloro-3-(5,5-difluoro-4-oxopentyl)-5-methyl-1H-indole-2-carboxamide
CID 162193317
3-(5,5-difluoro-4-oxopentyl)-N,5-dimethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 157122285
methyl 6-fluoro-3-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylate
CID 141482034
dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate
CID 134913493
3-[4-[3-[[(5-chloro-3-propyl-1H-indole-2-carbonyl)amino]methyl]-5-fluorophenoxy]-2-methylphenyl]propanoic acid
CID 58853595
tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate
CID 118248881
3-(2-aminoethyl)-6-bromo-5-methyl-1H-indole-2-carboxylic acid
CID 118245927
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353
6-chloro-3-[(dimethylamino)methyl]-N-propyl-1H-indole-2-carboxamide
CID 155523189
3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 118071542
6-fluoro-5-methoxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-2-carboxylic acid
CID 118074756
5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide
CID 118727855

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of 3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide (CID 157122783) is 3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide is CCNC(=O)c1[nH]c2cc(F)c(C)cc2c1CCCC(=O)C(F)F.
What is the InChIKey of 3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide?
The InChIKey is AIDZBCMSYPGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-3-21-17(24)15-10(5-4-6-14(23)16(19)20)11-7-9(2)12(18)8-13(11)22-15/h7-8,16,22H,3-6H2,1-2H3,(H,21,24).
What are the key properties of 3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide?
3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-difluoro-4-oxopentyl)-N-ethyl-6-fluoro-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 157122783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).