2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide

C20H19F2N3O2 — CID 4865684

IUPAC2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccccc2COc2ccc(F)cc2F)nn1C
InChIInChI=1S/C20H19F2N3O2/c1-13-9-16(24-25(13)2)11-23-20(26)17-6-4-3-5-14(17)12-27-19-8-7-15(21)10-18(19)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyKLYVOUCTIGDZDK-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.52
Rot. Bonds6

About 2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide

2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide (PubChem CID 4865684) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide
PubChem CID4865684
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccccc2COc2ccc(F)cc2F)nn1C
InChIInChI=1S/C20H19F2N3O2/c1-13-9-16(24-25(13)2)11-23-20(26)17-6-4-3-5-14(17)12-27-19-8-7-15(21)10-18(19)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyKLYVOUCTIGDZDK-UHFFFAOYSA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 4774851
4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
CID 4774859
4-[(2,4-difluorophenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19469683
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19329060
propan-2-yl 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19585960
2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 19576059
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19453151
5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 25308523
2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride
CID 19755755
3-[(2,4-difluorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 19282537

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide (CID 4865684) is 2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccccc2COc2ccc(F)cc2F)nn1C.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide?
The InChIKey is KLYVOUCTIGDZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-13-9-16(24-25(13)2)11-23-20(26)17-6-4-3-5-14(17)12-27-19-8-7-15(21)10-18(19)22/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide?
2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide has a molecular weight of 371.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 4865684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).