2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide

C21H17F2NO3 — CID 60558943

IUPAC2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H17F2NO3/c22-21(23)27-17-12-10-15(11-13-17)14-26-19-9-5-4-8-18(19)20(25)24-16-6-2-1-3-7-16/h1-13,21H,14H2,(H,24,25)
InChIKeyCONLUSWMXIJFOA-UHFFFAOYSA-N
MW369.37 g/mol
LogP5.12
Rot. Bonds7

About 2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide

2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide (PubChem CID 60558943) has the molecular formula C21H17F2NO3 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide
PubChem CID60558943
Molecular FormulaC21H17F2NO3
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H17F2NO3/c22-21(23)27-17-12-10-15(11-13-17)14-26-19-9-5-4-8-18(19)20(25)24-16-6-2-1-3-7-16/h1-13,21H,14H2,(H,24,25)
InChIKeyCONLUSWMXIJFOA-UHFFFAOYSA-N
XLogP5.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.37
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-ethoxyethoxy)phenyl]-2-phenylmethoxybenzamide
CID 17130628
N-benzyl-2-[2-[4-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide
CID 34092044
2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27218006
2-[(4-fluorophenyl)methoxy]-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887151
2-[(4-fluorophenyl)methoxy]-N'-phenylbenzohydrazide
CID 78774963
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
N-[4-(difluoromethoxy)phenyl]-2-iodobenzamide
CID 7941252
N-[4-[(2-acetylphenoxy)methyl]phenyl]acetamide
CID 129038120
2-(difluoromethoxy)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 39977055
2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid
CID 10137340
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide (CID 60558943) is 2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1OCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide?
The InChIKey is CONLUSWMXIJFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO3/c22-21(23)27-17-12-10-15(11-13-17)14-26-19-9-5-4-8-18(19)20(25)24-16-6-2-1-3-7-16/h1-13,21H,14H2,(H,24,25).
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide?
2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide has a molecular weight of 369.37 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide is sourced from PubChem (CID 60558943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).