4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide

C21H18F2N2O2 — CID 166100431

IUPAC4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide
SMILESCOc1cc(Cc2ccnc(-c3ccc(C(N)=O)c(C)c3)c2)cc(F)c1F
InChIInChI=1S/C21H18F2N2O2/c1-12-7-15(3-4-16(12)21(24)26)18-10-13(5-6-25-18)8-14-9-17(22)20(23)19(11-14)27-2/h3-7,9-11H,8H2,1-2H3,(H2,24,26)
InChIKeyBXCZICJLUMBTEN-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.03
Rot. Bonds5

About 4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide

4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide (PubChem CID 166100431) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide
PubChem CID166100431
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide
SMILESCOc1cc(Cc2ccnc(-c3ccc(C(N)=O)c(C)c3)c2)cc(F)c1F
InChIInChI=1S/C21H18F2N2O2/c1-12-7-15(3-4-16(12)21(24)26)18-10-13(5-6-25-18)8-14-9-17(22)20(23)19(11-14)27-2/h3-7,9-11H,8H2,1-2H3,(H2,24,26)
InChIKeyBXCZICJLUMBTEN-UHFFFAOYSA-N
XLogP4.03
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide
CID 166100350
[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate
CID 166793684
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
methyl 2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzoate
CID 174214827
4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide
CID 166793682
4-[4-(4-cyano-2,3-difluorophenoxy)-2-pyridinyl]-2-methylbenzamide
CID 171537901
4-[4-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]-N,2-dimethylbenzamide
CID 170054886
4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine
CID 142906116
4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide
CID 170054875
2-methyl-4-[4-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
CID 171537835
4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide
CID 171537783

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of 4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide (CID 166100431) is 4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide is COc1cc(Cc2ccnc(-c3ccc(C(N)=O)c(C)c3)c2)cc(F)c1F.
What is the InChIKey of 4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide?
The InChIKey is BXCZICJLUMBTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-12-7-15(3-4-16(12)21(24)26)18-10-13(5-6-25-18)8-14-9-17(22)20(23)19(11-14)27-2/h3-7,9-11H,8H2,1-2H3,(H2,24,26).
What are the key properties of 4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide?
4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide has a molecular weight of 368.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 166100431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).