5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide

C22H18ClFN3O2P — CID 143230600

IUPAC5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCOP(c1cccc(F)c1)c1c(C(=O)NCc2ccncc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H18ClFN3O2P/c1-29-30(17-4-2-3-16(24)12-17)21-18-11-15(23)5-6-19(18)27-20(21)22(28)26-13-14-7-9-25-10-8-14/h2-12,27H,13H2,1H3,(H,26,28)
InChIKeyUIGDNTZVJUCGMI-UHFFFAOYSA-N
MW441.83 g/mol
LogP4.28
Rot. Bonds6

About 5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide

5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 143230600) has the molecular formula C22H18ClFN3O2P and a molecular weight of 441.83 g/mol. Its IUPAC name is 5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
PubChem CID143230600
Molecular FormulaC22H18ClFN3O2P
Molecular Weight441.83 g/mol
Exact Mass441.08
IUPAC Name5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCOP(c1cccc(F)c1)c1c(C(=O)NCc2ccncc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H18ClFN3O2P/c1-29-30(17-4-2-3-16(24)12-17)21-18-11-15(23)5-6-19(18)27-20(21)22(28)26-13-14-7-9-25-10-8-14/h2-12,27H,13H2,1H3,(H,26,28)
InChIKeyUIGDNTZVJUCGMI-UHFFFAOYSA-N
XLogP4.28
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.83
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-(2,6-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 118722692
5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230568
5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 15958932
5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid
CID 143230675
5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230657
3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 55965841
5-chloro-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]-1H-indole-2-carboxamide
CID 71012163
5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230453
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 22401464
5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
CID 15959018
5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014400

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide (CID 143230600) is 5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide is COP(c1cccc(F)c1)c1c(C(=O)NCc2ccncc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is UIGDNTZVJUCGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN3O2P/c1-29-30(17-4-2-3-16(24)12-17)21-18-11-15(23)5-6-19(18)27-20(21)22(28)26-13-14-7-9-25-10-8-14/h2-12,27H,13H2,1H3,(H,26,28).
What are the key properties of 5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide?
5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 441.83 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 143230600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).