N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide

C15H10ClIN2O — CID 103766830

IUPACN-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H10ClIN2O/c16-10-5-6-13(11(17)8-10)19-15(20)14-7-9-3-1-2-4-12(9)18-14/h1-8,18H,(H,19,20)
InChIKeyOTXCXTCFIXSXMW-UHFFFAOYSA-N
MW396.62 g/mol
LogP4.68
Rot. Bonds2

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

N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide (PubChem CID 103766830) has the molecular formula C15H10ClIN2O and a molecular weight of 396.62 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
PubChem CID103766830
Molecular FormulaC15H10ClIN2O
Molecular Weight396.62 g/mol
Exact Mass395.95
IUPAC NameN-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H10ClIN2O/c16-10-5-6-13(11(17)8-10)19-15(20)14-7-9-3-1-2-4-12(9)18-14/h1-8,18H,(H,19,20)
InChIKeyOTXCXTCFIXSXMW-UHFFFAOYSA-N
XLogP4.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 9068762
N-(2-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 26699456
N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide
CID 103767046
N-(2,3-difluorophenyl)-1H-indole-2-carboxamide
CID 61077035
methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207589
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide
CID 102854713
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
CID 107640561
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid
CID 43823307
N-(4-chloro-2-iodophenyl)quinoxaline-2-carboxamide
CID 75380970
N-(4-chloro-2-fluorophenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 78802749

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide (CID 103766830) is N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide is O=C(Nc1ccc(Cl)cc1I)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide?
The InChIKey is OTXCXTCFIXSXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O/c16-10-5-6-13(11(17)8-10)19-15(20)14-7-9-3-1-2-4-12(9)18-14/h1-8,18H,(H,19,20).
What are the key properties of N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide?
N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide has a molecular weight of 396.62 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 103766830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).