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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Related Compounds

6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide
CID 166318181
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide
CID 46964182
N-(2-bromophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205230
N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205194
6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113205161
7-fluoro-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide
CID 119387295
N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204989
cis-(1S,3R)-3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675306
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 113205147
3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide
CID 166236895

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).