4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide

C14H13F3N2O2 — CID 84581711

IUPAC4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide
SMILESCC(=O)CCC(=O)Nc1ccc2[nH]c(C(F)(F)F)cc2c1
InChIInChI=1S/C14H13F3N2O2/c1-8(20)2-5-13(21)18-10-3-4-11-9(6-10)7-12(19-11)14(15,16)17/h3-4,6-7,19H,2,5H2,1H3,(H,18,21)
InChIKeyFHWBPINQSXPRRC-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.49
Rot. Bonds4

About 4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide

4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide (PubChem CID 84581711) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide.

Molecular Properties

Compound Name4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide
PubChem CID84581711
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide
SMILESCC(=O)CCC(=O)Nc1ccc2[nH]c(C(F)(F)F)cc2c1
InChIInChI=1S/C14H13F3N2O2/c1-8(20)2-5-13(21)18-10-3-4-11-9(6-10)7-12(19-11)14(15,16)17/h3-4,6-7,19H,2,5H2,1H3,(H,18,21)
InChIKeyFHWBPINQSXPRRC-UHFFFAOYSA-N
XLogP3.49
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide
CID 112534141
3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide
CID 110476896
ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 71513334
5-methyl-2-(trifluoromethyl)-1H-indole
CID 83485208
2-(methylamino)-N-(2-methyl-1H-indol-5-yl)acetamide
CID 83633877
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
5-tert-butyl-2-(trifluoromethyl)-1H-indole
CID 84629986
N-(3,5-dichlorophenyl)-4-oxopentanamide
CID 11839705
2-chloro-N-(2-hydroxy-1H-indol-5-yl)acetamide
CID 150237060
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide?
The IUPAC name of 4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide (CID 84581711) is 4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide.
What is the SMILES notation for 4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide?
The canonical SMILES for 4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide is CC(=O)CCC(=O)Nc1ccc2[nH]c(C(F)(F)F)cc2c1.
What is the InChIKey of 4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide?
The InChIKey is FHWBPINQSXPRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-8(20)2-5-13(21)18-10-3-4-11-9(6-10)7-12(19-11)14(15,16)17/h3-4,6-7,19H,2,5H2,1H3,(H,18,21).
What are the key properties of 4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide?
4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide has a molecular weight of 298.26 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide is sourced from PubChem (CID 84581711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).