N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide

C14H17FN2O — CID 17019825

IUPACN-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C14H17FN2O/c1-3-4-7-17(2)14(18)13-9-10-8-11(15)5-6-12(10)16-13/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyIVCKZXMQLCLOMH-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.18
Rot. Bonds4

About N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide

N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide (PubChem CID 17019825) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
PubChem CID17019825
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C14H17FN2O/c1-3-4-7-17(2)14(18)13-9-10-8-11(15)5-6-12(10)16-13/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyIVCKZXMQLCLOMH-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

3-[(5-fluoro-1H-indole-2-carbonyl)-methylamino]propanoic acid
CID 110834896
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid
CID 119205230
N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
CID 47169296
5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 118708590
methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate
CID 37411683
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
5-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38769661
N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide
CID 113206223
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90649915
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide (CID 17019825) is N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide is CCCCN(C)C(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide?
The InChIKey is IVCKZXMQLCLOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-4-7-17(2)14(18)13-9-10-8-11(15)5-6-12(10)16-13/h5-6,8-9,16H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide?
N-butyl-5-fluoro-N-methyl-1H-indole-2-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-5-fluoro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 17019825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).