2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide

C22H19F2NO3 — CID 55539818

IUPAC2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1OC(F)F
InChIInChI=1S/C22H19F2NO3/c1-27-19-12-11-17(14-20(19)28-22(23)24)25-21(26)18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-12,14,22H,13H2,1H3,(H,25,26)
InChIKeyYWVOCIIWQYIARP-UHFFFAOYSA-N
MW383.39 g/mol
LogP5.14
Rot. Bonds7

About 2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide

2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide (PubChem CID 55539818) has the molecular formula C22H19F2NO3 and a molecular weight of 383.39 g/mol. Its IUPAC name is 2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
PubChem CID55539818
Molecular FormulaC22H19F2NO3
Molecular Weight383.39 g/mol
Exact Mass383.13
IUPAC Name2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1OC(F)F
InChIInChI=1S/C22H19F2NO3/c1-27-19-12-11-17(14-20(19)28-22(23)24)25-21(26)18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-12,14,22H,13H2,1H3,(H,25,26)
InChIKeyYWVOCIIWQYIARP-UHFFFAOYSA-N
XLogP5.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.39
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide
CID 24624799
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55758693
N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55331140
2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylindole-3-carboxamide
CID 46530558
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 18205374
2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 26095026
N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 55447606
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 24624798
4-chloro-N-[1-[3-(difluoromethoxy)-4-methoxyanilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55533344

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
The IUPAC name of 2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide (CID 55539818) is 2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide.
What is the SMILES notation for 2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
The canonical SMILES for 2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1OC(F)F.
What is the InChIKey of 2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
The InChIKey is YWVOCIIWQYIARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO3/c1-27-19-12-11-17(14-20(19)28-22(23)24)25-21(26)18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-12,14,22H,13H2,1H3,(H,25,26).
What are the key properties of 2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide has a molecular weight of 383.39 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide is sourced from PubChem (CID 55539818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).