5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide

C18H18ClN2O3P — CID 15958965

IUPAC5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1ccc(C)c(C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H18ClN2O3P/c1-10-4-6-13(8-11(10)2)25(23,24-3)17-14-9-12(19)5-7-15(14)21-16(17)18(20)22/h4-9,21H,1-3H3,(H2,20,22)
InChIKeyITEUVHRIQDJUMO-UHFFFAOYSA-N
MW376.78 g/mol
LogP3.41
Rot. Bonds4

About 5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide

5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide (PubChem CID 15958965) has the molecular formula C18H18ClN2O3P and a molecular weight of 376.78 g/mol. Its IUPAC name is 5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
PubChem CID15958965
Molecular FormulaC18H18ClN2O3P
Molecular Weight376.78 g/mol
Exact Mass376.07
IUPAC Name5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1ccc(C)c(C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H18ClN2O3P/c1-10-4-6-13(8-11(10)2)25(23,24-3)17-14-9-12(19)5-7-15(14)21-16(17)18(20)22/h4-9,21H,1-3H3,(H2,20,22)
InChIKeyITEUVHRIQDJUMO-UHFFFAOYSA-N
XLogP3.41
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.78
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide (CID 15958965) is 5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide is COP(=O)(c1ccc(C)c(C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
The InChIKey is ITEUVHRIQDJUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN2O3P/c1-10-4-6-13(8-11(10)2)25(23,24-3)17-14-9-12(19)5-7-15(14)21-16(17)18(20)22/h4-9,21H,1-3H3,(H2,20,22).
What are the key properties of 5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide has a molecular weight of 376.78 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3,4-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide is sourced from PubChem (CID 15958965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).