5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide

C15H12FN3O — CID 62058585

IUPAC5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3)cc2c1
InChIInChI=1S/C15H12FN3O/c16-10-1-4-12(5-2-10)18-15(20)14-8-9-7-11(17)3-6-13(9)19-14/h1-8,19H,17H2,(H,18,20)
InChIKeyJFNSOAQKQTZTCQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.14
Rot. Bonds2

About 5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide

5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide (PubChem CID 62058585) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
PubChem CID62058585
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3)cc2c1
InChIInChI=1S/C15H12FN3O/c16-10-1-4-12(5-2-10)18-15(20)14-8-9-7-11(17)3-6-13(9)19-14/h1-8,19H,17H2,(H,18,20)
InChIKeyJFNSOAQKQTZTCQ-UHFFFAOYSA-N
XLogP3.14
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.14
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-(4-iodophenyl)-1H-indole-2-carboxamide
CID 62057441
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
5-amino-N-(2,6-difluorophenyl)-1H-indole-2-carboxamide
CID 63117859
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide
CID 63118402
5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide
CID 107581689
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-amino-N-(2,4-dibromophenyl)-1H-indole-2-carboxamide
CID 63118416
5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 115597844

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide (CID 62058585) is 5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3)cc2c1.
What is the InChIKey of 5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide?
The InChIKey is JFNSOAQKQTZTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-10-1-4-12(5-2-10)18-15(20)14-8-9-7-11(17)3-6-13(9)19-14/h1-8,19H,17H2,(H,18,20).
What are the key properties of 5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide?
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 62058585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).