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

C13H13FN2O — CID 113205089

IUPACN-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)[nH]c2cc(F)ccc12
InChIInChI=1S/C13H13FN2O/c1-7-10-5-2-8(14)6-11(10)16-12(7)13(17)15-9-3-4-9/h2,5-6,9,16H,3-4H2,1H3,(H,15,17)
InChIKeySYLPYNVSQYVUOQ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.51
Rot. Bonds2

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

N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide (PubChem CID 113205089) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
PubChem CID113205089
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC NameN-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)[nH]c2cc(F)ccc12
InChIInChI=1S/C13H13FN2O/c1-7-10-5-2-8(14)6-11(10)16-12(7)13(17)15-9-3-4-9/h2,5-6,9,16H,3-4H2,1H3,(H,15,17)
InChIKeySYLPYNVSQYVUOQ-UHFFFAOYSA-N
XLogP2.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide (CID 113205089) is N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide is Cc1c(C(=O)NC2CC2)[nH]c2cc(F)ccc12.
What is the InChIKey of N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide?
The InChIKey is SYLPYNVSQYVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-7-10-5-2-8(14)6-11(10)16-12(7)13(17)15-9-3-4-9/h2,5-6,9,16H,3-4H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide?
N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide has a molecular weight of 232.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).