3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide

C21H16ClF2NO2 — CID 164887529

IUPAC3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide
SMILESCc1cc(Cl)ccc1-c1cccc(COc2ccc(F)c(C(N)=O)c2F)c1
InChIInChI=1S/C21H16ClF2NO2/c1-12-9-15(22)5-6-16(12)14-4-2-3-13(10-14)11-27-18-8-7-17(23)19(20(18)24)21(25)26/h2-10H,11H2,1H3,(H2,25,26)
InChIKeyFCUHVMOGMKEXGY-UHFFFAOYSA-N
MW387.81 g/mol
LogP5.27
Rot. Bonds5

About 3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide

3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide (PubChem CID 164887529) has the molecular formula C21H16ClF2NO2 and a molecular weight of 387.81 g/mol. Its IUPAC name is 3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide
PubChem CID164887529
Molecular FormulaC21H16ClF2NO2
Molecular Weight387.81 g/mol
Exact Mass387.08
IUPAC Name3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide
SMILESCc1cc(Cl)ccc1-c1cccc(COc2ccc(F)c(C(N)=O)c2F)c1
InChIInChI=1S/C21H16ClF2NO2/c1-12-9-15(22)5-6-16(12)14-4-2-3-13(10-14)11-27-18-8-7-17(23)19(20(18)24)21(25)26/h2-10H,11H2,1H3,(H2,25,26)
InChIKeyFCUHVMOGMKEXGY-UHFFFAOYSA-N
XLogP5.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.81
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide (CID 164887529) is 3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide is Cc1cc(Cl)ccc1-c1cccc(COc2ccc(F)c(C(N)=O)c2F)c1.
What is the InChIKey of 3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide?
The InChIKey is FCUHVMOGMKEXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2NO2/c1-12-9-15(22)5-6-16(12)14-4-2-3-13(10-14)11-27-18-8-7-17(23)19(20(18)24)21(25)26/h2-10H,11H2,1H3,(H2,25,26).
What are the key properties of 3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide?
3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide has a molecular weight of 387.81 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 164887529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).