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

C16H12Cl3N2O3P — CID 15958982

IUPAC5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cc(Cl)cc(Cl)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H12Cl3N2O3P/c1-24-25(23,11-5-9(18)4-10(19)6-11)15-12-7-8(17)2-3-13(12)21-14(15)16(20)22/h2-7,21H,1H3,(H2,20,22)
InChIKeyZWVIQLFWWQUBCB-UHFFFAOYSA-N
MW417.62 g/mol
LogP4.10
Rot. Bonds4

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

5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide (PubChem CID 15958982) has the molecular formula C16H12Cl3N2O3P and a molecular weight of 417.62 g/mol. Its IUPAC name is 5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
PubChem CID15958982
Molecular FormulaC16H12Cl3N2O3P
Molecular Weight417.62 g/mol
Exact Mass415.97
IUPAC Name5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cc(Cl)cc(Cl)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H12Cl3N2O3P/c1-24-25(23,11-5-9(18)4-10(19)6-11)15-12-7-8(17)2-3-13(12)21-14(15)16(20)22/h2-7,21H,1H3,(H2,20,22)
InChIKeyZWVIQLFWWQUBCB-UHFFFAOYSA-N
XLogP4.10
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.62
LogP ≤ 54.10
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-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide (CID 15958982) is 5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide is COP(=O)(c1cc(Cl)cc(Cl)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
The InChIKey is ZWVIQLFWWQUBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N2O3P/c1-24-25(23,11-5-9(18)4-10(19)6-11)15-12-7-8(17)2-3-13(12)21-14(15)16(20)22/h2-7,21H,1H3,(H2,20,22).
What are the key properties of 5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide has a molecular weight of 417.62 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide is sourced from PubChem (CID 15958982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).