2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide

C17H17F2NO3 — CID 51147641

IUPAC2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccccc2)c1OC(F)F
InChIInChI=1S/C17H17F2NO3/c1-11(12-7-4-3-5-8-12)20-16(21)13-9-6-10-14(22-2)15(13)23-17(18)19/h3-11,17H,1-2H3,(H,20,21)
InChIKeyVLPYJXIZUHYDNK-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.79
Rot. Bonds6

About 2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide

2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide (PubChem CID 51147641) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
PubChem CID51147641
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccccc2)c1OC(F)F
InChIInChI=1S/C17H17F2NO3/c1-11(12-7-4-3-5-8-12)20-16(21)13-9-6-10-14(22-2)15(13)23-17(18)19/h3-11,17H,1-2H3,(H,20,21)
InChIKeyVLPYJXIZUHYDNK-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55962117
2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 51150833
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 134030653
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 107863863
3-amino-2-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 107863919
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide (CID 51147641) is 2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide is COc1cccc(C(=O)NC(C)c2ccccc2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide?
The InChIKey is VLPYJXIZUHYDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-11(12-7-4-3-5-8-12)20-16(21)13-9-6-10-14(22-2)15(13)23-17(18)19/h3-11,17H,1-2H3,(H,20,21).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide?
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide has a molecular weight of 321.32 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 51147641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).