5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide

C10H9ClIN2O3P — CID 88896255

IUPAC5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide
SMILESCO[P@](=O)(I)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H9ClIN2O3P/c1-17-18(12,16)9-6-4-5(11)2-3-7(6)14-8(9)10(13)15/h2-4,14H,1H3,(H2,13,15)/t18-/m0/s1
InChIKeyNGWOFNWLHFHSIX-SFHVURJKSA-N
MW398.52 g/mol
LogP2.82
Rot. Bonds3

About 5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide

5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide (PubChem CID 88896255) has the molecular formula C10H9ClIN2O3P and a molecular weight of 398.52 g/mol. Its IUPAC name is 5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide
PubChem CID88896255
Molecular FormulaC10H9ClIN2O3P
Molecular Weight398.52 g/mol
Exact Mass397.91
IUPAC Name5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide
SMILESCO[P@](=O)(I)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H9ClIN2O3P/c1-17-18(12,16)9-6-4-5(11)2-3-7(6)14-8(9)10(13)15/h2-4,14H,1H3,(H2,13,15)/t18-/m0/s1
InChIKeyNGWOFNWLHFHSIX-SFHVURJKSA-N
XLogP2.82
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
CID 15958929
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
5-chloro-3-[[5-[(E)-2-cyanoethenyl]-3-pyridinyl]-methoxyphosphoryl]-1H-indole-2-carboxamide
CID 127032006
5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide
CID 74767740
5-chloro-3-[[3-[(E)-2-cyanoethenyl]-5-methylphenyl]-methylphosphoryl]-1H-indole-2-carboxamide
CID 58475166
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869
5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide
CID 142861143
5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 10425860
1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide
CID 162220092
5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230568
5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230657
5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide
CID 10471920

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide (CID 88896255) is 5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide is CO[P@](=O)(I)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide?
The InChIKey is NGWOFNWLHFHSIX-SFHVURJKSA-N. The full InChI is InChI=1S/C10H9ClIN2O3P/c1-17-18(12,16)9-6-4-5(11)2-3-7(6)14-8(9)10(13)15/h2-4,14H,1H3,(H2,13,15)/t18-/m0/s1.
What are the key properties of 5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide?
5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide has a molecular weight of 398.52 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide is sourced from PubChem (CID 88896255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).