N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide

C14H17FN2O — CID 110848225

IUPACN-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCCCCNC(=O)c1c(C)[nH]c2cc(F)ccc12
InChIInChI=1S/C14H17FN2O/c1-3-4-7-16-14(18)13-9(2)17-12-8-10(15)5-6-11(12)13/h5-6,8,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyHRVFSBCSPGDMIP-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.15
Rot. Bonds4

About N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide

N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide (PubChem CID 110848225) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide
PubChem CID110848225
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCCCCNC(=O)c1c(C)[nH]c2cc(F)ccc12
InChIInChI=1S/C14H17FN2O/c1-3-4-7-16-14(18)13-9(2)17-12-8-10(15)5-6-11(12)13/h5-6,8,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyHRVFSBCSPGDMIP-UHFFFAOYSA-N
XLogP3.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide
CID 110849220
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
2,5-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335283
6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110860042
5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide
CID 110614865
6-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859831
6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113205161
2,5-difluoro-N-undecylbenzamide
CID 91717430
5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 110606781
N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110860582
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 113085879
N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625091

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide (CID 110848225) is N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide is CCCCNC(=O)c1c(C)[nH]c2cc(F)ccc12.
What is the InChIKey of N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide?
The InChIKey is HRVFSBCSPGDMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-4-7-16-14(18)13-9(2)17-12-8-10(15)5-6-11(12)13/h5-6,8,17H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide?
N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide has a molecular weight of 248.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110848225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).