(4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate

C21H20FN3O3 — CID 70393552

IUPAC(4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate
SMILESCCCOc1cc(=NC(=O)OCc2ccc(F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C21H20FN3O3/c1-2-12-27-20-13-18(14-23-25(20)19-6-4-3-5-7-19)24-21(26)28-15-16-8-10-17(22)11-9-16/h3-11,13-14H,2,12,15H2,1H3
InChIKeySBOIUICKRXMVDG-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.04
Rot. Bonds6

About (4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate

(4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate (PubChem CID 70393552) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate
PubChem CID70393552
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate
SMILESCCCOc1cc(=NC(=O)OCc2ccc(F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C21H20FN3O3/c1-2-12-27-20-13-18(14-23-25(20)19-6-4-3-5-7-19)24-21(26)28-15-16-8-10-17(22)11-9-16/h3-11,13-14H,2,12,15H2,1H3
InChIKeySBOIUICKRXMVDG-UHFFFAOYSA-N
XLogP4.04
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate?
The IUPAC name of (4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate (CID 70393552) is (4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate is CCCOc1cc(=NC(=O)OCc2ccc(F)cc2)cnn1-c1ccccc1.
What is the InChIKey of (4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate?
The InChIKey is SBOIUICKRXMVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-2-12-27-20-13-18(14-23-25(20)19-6-4-3-5-7-19)24-21(26)28-15-16-8-10-17(22)11-9-16/h3-11,13-14H,2,12,15H2,1H3.
What are the key properties of (4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate?
(4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate has a molecular weight of 381.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate is sourced from PubChem (CID 70393552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).