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

C15H12IN3O — CID 62057441

IUPAC5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)Nc3ccc(I)cc3)cc2c1
InChIInChI=1S/C15H12IN3O/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)
InChIKeyVSWGOLFEDUOEAN-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.61
Rot. Bonds2

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

5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide (PubChem CID 62057441) has the molecular formula C15H12IN3O and a molecular weight of 377.19 g/mol. Its IUPAC name is 5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
PubChem CID62057441
Molecular FormulaC15H12IN3O
Molecular Weight377.19 g/mol
Exact Mass377.00
IUPAC Name5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)Nc3ccc(I)cc3)cc2c1
InChIInChI=1S/C15H12IN3O/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)
InChIKeyVSWGOLFEDUOEAN-UHFFFAOYSA-N
XLogP3.61
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide
CID 107581689
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-(2,4-dibromophenyl)-1H-indole-2-carboxamide
CID 63118416
5-amino-N-(2,6-difluorophenyl)-1H-indole-2-carboxamide
CID 63117859
5-amino-N-(2,3-difluorophenyl)-1H-indole-2-carboxamide
CID 63118402
5-amino-N-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide
CID 79041889
4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
CID 43643239
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 115597844
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
CID 63117740

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide (CID 62057441) is 5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)Nc3ccc(I)cc3)cc2c1.
What is the InChIKey of 5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide?
The InChIKey is VSWGOLFEDUOEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O/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-iodophenyl)-1H-indole-2-carboxamide?
5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide has a molecular weight of 377.19 g/mol, XLogP of 3.61, 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-iodophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 62057441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).