5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide

C19H15ClN3O2P — CID 143230453

IUPAC5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide
SMILESCOP(c1cccc(/C=C/C#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H15ClN3O2P/c1-25-26(14-6-2-4-12(10-14)5-3-9-21)18-15-11-13(20)7-8-16(15)23-17(18)19(22)24/h2-8,10-11,23H,1H3,(H2,22,24)/b5-3+
InChIKeyQHPFCDKRJIQSED-HWKANZROSA-N
MW383.78 g/mol
LogP3.45
Rot. Bonds5

About 5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide

5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide (PubChem CID 143230453) has the molecular formula C19H15ClN3O2P and a molecular weight of 383.78 g/mol. Its IUPAC name is 5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide
PubChem CID143230453
Molecular FormulaC19H15ClN3O2P
Molecular Weight383.78 g/mol
Exact Mass383.06
IUPAC Name5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide
SMILESCOP(c1cccc(/C=C/C#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H15ClN3O2P/c1-25-26(14-6-2-4-12(10-14)5-3-9-21)18-15-11-13(20)7-8-16(15)23-17(18)19(22)24/h2-8,10-11,23H,1H3,(H2,22,24)/b5-3+
InChIKeyQHPFCDKRJIQSED-HWKANZROSA-N
XLogP3.45
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.78
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230657
5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid
CID 143230675
5-chloro-3-[[3-[(E)-2-cyanoethenyl]-5-methylphenyl]-methylphosphoryl]-1H-indole-2-carboxamide
CID 58475166
5-chloro-3-[[5-[(E)-2-cyanoethenyl]-3-pyridinyl]-methoxyphosphoryl]-1H-indole-2-carboxamide
CID 127032006
5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 143230600
5-chloro-3-[[3-[(E)-2-cyanoethenyl]-5-methylphenyl]-methoxyphosphoryl]-1H-indole-2-carboxylic acid
CID 58475139
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide
CID 74767740
5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide
CID 88896255
5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
CID 15958929
5-chloro-3-[(1R)-3-(2-cyanoethenyl)-2-methyl-2-(3-methylphenyl)phosphinan-1-yl]-1H-indole-2-carboxamide
CID 67258173
5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide
CID 174388500

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide (CID 143230453) is 5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide is COP(c1cccc(/C=C/C#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide?
The InChIKey is QHPFCDKRJIQSED-HWKANZROSA-N. The full InChI is InChI=1S/C19H15ClN3O2P/c1-25-26(14-6-2-4-12(10-14)5-3-9-21)18-15-11-13(20)7-8-16(15)23-17(18)19(22)24/h2-8,10-11,23H,1H3,(H2,22,24)/b5-3+.
What are the key properties of 5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide?
5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide has a molecular weight of 383.78 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 143230453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).