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

C14H17FN2O — CID 113206223

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

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

N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide (PubChem CID 113206223) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide
PubChem CID113206223
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide
SMILESCCCCN(C)C(=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C14H17FN2O/c1-3-4-7-17(2)14(18)12-9-16-13-8-10(15)5-6-11(12)13/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyCSQLRYUXQBFNKO-UHFFFAOYSA-N
XLogP3.18
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110855743
6-amino-N-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-3-carboxamide
CID 63694066
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825
1-acetyl-N-butyl-5-fluoro-N-methylindole-3-carboxamide
CID 113212403
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide (CID 113206223) is N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide is CCCCN(C)C(=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide?
The InChIKey is CSQLRYUXQBFNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-4-7-17(2)14(18)12-9-16-13-8-10(15)5-6-11(12)13/h5-6,8-9,16H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide?
N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide has a molecular weight of 248.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 113206223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).