N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide

C22H19F2NO3 — CID 55331140

IUPACN-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1OC(F)F
InChIInChI=1S/C22H19F2NO3/c1-27-19-13-7-11-17(20(19)28-22(23)24)21(26)25-18-12-6-5-10-16(18)14-15-8-3-2-4-9-15/h2-13,22H,14H2,1H3,(H,25,26)
InChIKeyFWUBXHYVEWCPSM-UHFFFAOYSA-N
MW383.39 g/mol
LogP5.14
Rot. Bonds7

About N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide

N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 55331140) has the molecular formula C22H19F2NO3 and a molecular weight of 383.39 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
PubChem CID55331140
Molecular FormulaC22H19F2NO3
Molecular Weight383.39 g/mol
Exact Mass383.13
IUPAC NameN-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1OC(F)F
InChIInChI=1S/C22H19F2NO3/c1-27-19-13-7-11-17(20(19)28-22(23)24)21(26)25-18-12-6-5-10-16(18)14-15-8-3-2-4-9-15/h2-13,22H,14H2,1H3,(H,25,26)
InChIKeyFWUBXHYVEWCPSM-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-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55670050
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 55539818
2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
CID 120828025
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
CID 112765648
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
CID 55505645
N-(5-chloro-2-methylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51145397

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide (CID 55331140) is N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1OC(F)F.
What is the InChIKey of N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is FWUBXHYVEWCPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO3/c1-27-19-13-7-11-17(20(19)28-22(23)24)21(26)25-18-12-6-5-10-16(18)14-15-8-3-2-4-9-15/h2-13,22H,14H2,1H3,(H,25,26).
What are the key properties of N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide 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 N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 55331140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).