N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide

C16H21FN2O — CID 113085879

IUPACN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H21FN2O/c1-3-4-5-16(20)18-9-8-13-11(2)19-15-7-6-12(17)10-14(13)15/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyABNPNNCBULDTIM-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide (PubChem CID 113085879) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
PubChem CID113085879
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H21FN2O/c1-3-4-5-16(20)18-9-8-13-11(2)19-15-7-6-12(17)10-14(13)15/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyABNPNNCBULDTIM-UHFFFAOYSA-N
XLogP3.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833140
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-phenylthiourea
CID 43952983
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide
CID 91956047
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211872
1-butyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]thiourea
CID 43953000
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82496402
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide (CID 113085879) is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide is CCCCC(=O)NCCc1c(C)[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide?
The InChIKey is ABNPNNCBULDTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-3-4-5-16(20)18-9-8-13-11(2)19-15-7-6-12(17)10-14(13)15/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide?
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide has a molecular weight of 276.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 113085879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).