5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide

C15H11F2N3O — CID 63118402

IUPAC5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)Nc3cccc(F)c3F)cc2c1
InChIInChI=1S/C15H11F2N3O/c16-10-2-1-3-12(14(10)17)20-15(21)13-7-8-6-9(18)4-5-11(8)19-13/h1-7,19H,18H2,(H,20,21)
InChIKeyFSHXVYXHNVNYSO-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.28
Rot. Bonds2

About 5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide

5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide (PubChem CID 63118402) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide
PubChem CID63118402
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)Nc3cccc(F)c3F)cc2c1
InChIInChI=1S/C15H11F2N3O/c16-10-2-1-3-12(14(10)17)20-15(21)13-7-8-6-9(18)4-5-11(8)19-13/h1-7,19H,18H2,(H,20,21)
InChIKeyFSHXVYXHNVNYSO-UHFFFAOYSA-N
XLogP3.28
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2,6-difluorophenyl)-1H-indole-2-carboxamide
CID 63117859
N-(2,3-difluorophenyl)-1H-indole-2-carboxamide
CID 61077035
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
5-amino-N-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide
CID 79041889
5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
CID 62057441
5-amino-N-(2,4-dibromophenyl)-1H-indole-2-carboxamide
CID 63118416
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
N-(2,3-difluorophenyl)-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 154804911
5-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide
CID 118425440
5-chloro-N'-(2,3-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992512
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
CID 63117740
5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide
CID 107581689

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide (CID 63118402) is 5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)Nc3cccc(F)c3F)cc2c1.
What is the InChIKey of 5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide?
The InChIKey is FSHXVYXHNVNYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-10-2-1-3-12(14(10)17)20-15(21)13-7-8-6-9(18)4-5-11(8)19-13/h1-7,19H,18H2,(H,20,21).
What are the key properties of 5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide?
5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63118402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).