4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide

C21H18F2N2O2 — CID 166793682

IUPAC4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(COc3cccc(C(F)F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C21H18F2N2O2/c1-13-9-15(5-6-18(13)21(24)26)19-10-14(7-8-25-19)12-27-17-4-2-3-16(11-17)20(22)23/h2-11,20H,12H2,1H3,(H2,24,26)
InChIKeyIRSPYYSKXGFJKG-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.67
Rot. Bonds6

About 4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide

4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide (PubChem CID 166793682) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide
PubChem CID166793682
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(COc3cccc(C(F)F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C21H18F2N2O2/c1-13-9-15(5-6-18(13)21(24)26)19-10-14(7-8-25-19)12-27-17-4-2-3-16(11-17)20(22)23/h2-11,20H,12H2,1H3,(H2,24,26)
InChIKeyIRSPYYSKXGFJKG-UHFFFAOYSA-N
XLogP4.67
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide
CID 166793626
2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide
CID 166793604
[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate
CID 166793684
2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide
CID 166100350
4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide
CID 170054875
4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide
CID 170055033
4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide
CID 166100431
4-[4-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]-N,2-dimethylbenzamide
CID 170054886
4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 62464940
methyl 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzoate
CID 174214827
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
4-[4-[[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]oxymethyl]-2-pyridinyl]-2-methylbenzohydrazide
CID 170055048

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of 4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide (CID 166793682) is 4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide is Cc1cc(-c2cc(COc3cccc(C(F)F)c3)ccn2)ccc1C(N)=O.
What is the InChIKey of 4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide?
The InChIKey is IRSPYYSKXGFJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-13-9-15(5-6-18(13)21(24)26)19-10-14(7-8-25-19)12-27-17-4-2-3-16(11-17)20(22)23/h2-11,20H,12H2,1H3,(H2,24,26).
What are the key properties of 4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide?
4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide has a molecular weight of 368.38 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 166793682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).