[1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate

C22H16Cl2FN3O4 — CID 70200804

IUPAC[1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate
SMILESCOc1ccc2c(c1)c(=O)n(OC(=O)Nc1c(Cl)cccc1Cl)n2Cc1ccc(F)cc1
InChIInChI=1S/C22H16Cl2FN3O4/c1-31-15-9-10-19-16(11-15)21(29)28(27(19)12-13-5-7-14(25)8-6-13)32-22(30)26-20-17(23)3-2-4-18(20)24/h2-11H,12H2,1H3,(H,26,30)
InChIKeyBCKAVQXPBASFGE-UHFFFAOYSA-N
MW476.29 g/mol
LogP4.97
Rot. Bonds5

About [1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate

[1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate (PubChem CID 70200804) has the molecular formula C22H16Cl2FN3O4 and a molecular weight of 476.29 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate
PubChem CID70200804
Molecular FormulaC22H16Cl2FN3O4
Molecular Weight476.29 g/mol
Exact Mass475.05
IUPAC Name[1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate
SMILESCOc1ccc2c(c1)c(=O)n(OC(=O)Nc1c(Cl)cccc1Cl)n2Cc1ccc(F)cc1
InChIInChI=1S/C22H16Cl2FN3O4/c1-31-15-9-10-19-16(11-15)21(29)28(27(19)12-13-5-7-14(25)8-6-13)32-22(30)26-20-17(23)3-2-4-18(20)24/h2-11H,12H2,1H3,(H,26,30)
InChIKeyBCKAVQXPBASFGE-UHFFFAOYSA-N
XLogP4.97
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.29
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate (CID 70200804) is [1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate is COc1ccc2c(c1)c(=O)n(OC(=O)Nc1c(Cl)cccc1Cl)n2Cc1ccc(F)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate?
The InChIKey is BCKAVQXPBASFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FN3O4/c1-31-15-9-10-19-16(11-15)21(29)28(27(19)12-13-5-7-14(25)8-6-13)32-22(30)26-20-17(23)3-2-4-18(20)24/h2-11H,12H2,1H3,(H,26,30).
What are the key properties of [1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate?
[1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate has a molecular weight of 476.29 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-5-methoxy-3-oxoindazol-2-yl] N-(2,6-dichlorophenyl)carbamate is sourced from PubChem (CID 70200804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).