N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide

C14H17FN2O — CID 110848424

IUPACN-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2cc(F)ccc2n1C
InChIInChI=1S/C14H17FN2O/c1-4-9(2)16-14(18)13-8-10-7-11(15)5-6-12(10)17(13)3/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyBAWYNNMIEMNHQV-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.85
Rot. Bonds3

About N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide

N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide (PubChem CID 110848424) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide
PubChem CID110848424
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2cc(F)ccc2n1C
InChIInChI=1S/C14H17FN2O/c1-4-9(2)16-14(18)13-8-10-7-11(15)5-6-12(10)17(13)3/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyBAWYNNMIEMNHQV-UHFFFAOYSA-N
XLogP2.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide (CID 110848424) is N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide is CCC(C)NC(=O)c1cc2cc(F)ccc2n1C.
What is the InChIKey of N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide?
The InChIKey is BAWYNNMIEMNHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-4-9(2)16-14(18)13-8-10-7-11(15)5-6-12(10)17(13)3/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide?
N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide has a molecular weight of 248.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide is sourced from PubChem (CID 110848424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).