4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide

C21H18F2N2O2 — CID 170054463

IUPAC4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2ccnc(COc3cc(F)cc(F)c3)c2)cc1C
InChIInChI=1S/C21H18F2N2O2/c1-13-7-14(3-4-20(13)21(26)24-2)15-5-6-25-18(8-15)12-27-19-10-16(22)9-17(23)11-19/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyVTVFSRPGWOJUJT-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.27
Rot. Bonds5

About 4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide

4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide (PubChem CID 170054463) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide
PubChem CID170054463
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2ccnc(COc3cc(F)cc(F)c3)c2)cc1C
InChIInChI=1S/C21H18F2N2O2/c1-13-7-14(3-4-20(13)21(26)24-2)15-5-6-25-18(8-15)12-27-19-10-16(22)9-17(23)11-19/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyVTVFSRPGWOJUJT-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[4-(1-fluoro-1-iodoethyl)phenoxy]methyl]-4-pyridinyl]-N,2-dimethylbenzamide
CID 170055109
4-[5-[[4-(1-fluoro-1-iodoethyl)phenoxy]methyl]-3-pyridinyl]-N,2-dimethylbenzamide
CID 170055146
4-[4-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]-N,2-dimethylbenzamide
CID 170054886
4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63886141
[4-(4-fluorophenyl)-2-pyridinyl]methyl 2,2-dimethylbutanoate
CID 54018860
2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107670890
4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide
CID 170054875
4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide
CID 165451779
[3-methyl-4-(methylcarbamoyl)phenoxy]boronic acid
CID 142792851
2-amino-N-methyl-5-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 144889183
5-fluoro-N,2,3-trimethylbenzamide
CID 148716978
N-[[4-(2-methoxy-4-pyridinyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 177019515

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide?
The IUPAC name of 4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide (CID 170054463) is 4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide?
The canonical SMILES for 4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide is CNC(=O)c1ccc(-c2ccnc(COc3cc(F)cc(F)c3)c2)cc1C.
What is the InChIKey of 4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide?
The InChIKey is VTVFSRPGWOJUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-13-7-14(3-4-20(13)21(26)24-2)15-5-6-25-18(8-15)12-27-19-10-16(22)9-17(23)11-19/h3-11H,12H2,1-2H3,(H,24,26).
What are the key properties of 4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide?
4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide has a molecular weight of 368.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,5-difluorophenoxy)methyl]-4-pyridinyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 170054463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).