2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide

C21H15F4NO4 — CID 18272971

IUPAC2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
SMILESCOc1ccc(Oc2cc(NC(=O)c3cc(F)c(F)c(F)c3F)ccc2OC)cc1
InChIInChI=1S/C21H15F4NO4/c1-28-12-4-6-13(7-5-12)30-17-9-11(3-8-16(17)29-2)26-21(27)14-10-15(22)19(24)20(25)18(14)23/h3-10H,1-2H3,(H,26,27)
InChIKeyNGYUWFQRBMEGTF-UHFFFAOYSA-N
MW421.35 g/mol
LogP5.30
Rot. Bonds6

About 2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide

2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide (PubChem CID 18272971) has the molecular formula C21H15F4NO4 and a molecular weight of 421.35 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
PubChem CID18272971
Molecular FormulaC21H15F4NO4
Molecular Weight421.35 g/mol
Exact Mass421.09
IUPAC Name2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
SMILESCOc1ccc(Oc2cc(NC(=O)c3cc(F)c(F)c(F)c3F)ccc2OC)cc1
InChIInChI=1S/C21H15F4NO4/c1-28-12-4-6-13(7-5-12)30-17-9-11(3-8-16(17)29-2)26-21(27)14-10-15(22)19(24)20(25)18(14)23/h3-10H,1-2H3,(H,26,27)
InChIKeyNGYUWFQRBMEGTF-UHFFFAOYSA-N
XLogP5.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.35
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826
N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 3908223
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 88891604
2-(2-methoxyethoxy)-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]acetamide
CID 30902018
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24655309
2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
CID 30257849
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146
2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851594

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide (CID 18272971) is 2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide is COc1ccc(Oc2cc(NC(=O)c3cc(F)c(F)c(F)c3F)ccc2OC)cc1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide?
The InChIKey is NGYUWFQRBMEGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4NO4/c1-28-12-4-6-13(7-5-12)30-17-9-11(3-8-16(17)29-2)26-21(27)14-10-15(22)19(24)20(25)18(14)23/h3-10H,1-2H3,(H,26,27).
What are the key properties of 2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide?
2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide has a molecular weight of 421.35 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide is sourced from PubChem (CID 18272971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).