2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide

C17H15F4NO3 — CID 51150833

IUPAC2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(F)c(F)c2)c1OC(F)F
InChIInChI=1S/C17H15F4NO3/c1-9(10-6-7-12(18)13(19)8-10)22-16(23)11-4-3-5-14(24-2)15(11)25-17(20)21/h3-9,17H,1-2H3,(H,22,23)
InChIKeyOFJGBSSAKJYAJH-UHFFFAOYSA-N
MW357.30 g/mol
LogP4.07
Rot. Bonds6

About 2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide

2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide (PubChem CID 51150833) has the molecular formula C17H15F4NO3 and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
PubChem CID51150833
Molecular FormulaC17H15F4NO3
Molecular Weight357.30 g/mol
Exact Mass357.10
IUPAC Name2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(F)c(F)c2)c1OC(F)F
InChIInChI=1S/C17H15F4NO3/c1-9(10-6-7-12(18)13(19)8-10)22-16(23)11-4-3-5-14(24-2)15(11)25-17(20)21/h3-9,17H,1-2H3,(H,22,23)
InChIKeyOFJGBSSAKJYAJH-UHFFFAOYSA-N
XLogP4.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55962117
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55551005
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46551536
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide
CID 28560307
1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47039459
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide (CID 51150833) is 2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NC(C)c2ccc(F)c(F)c2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide?
The InChIKey is OFJGBSSAKJYAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO3/c1-9(10-6-7-12(18)13(19)8-10)22-16(23)11-4-3-5-14(24-2)15(11)25-17(20)21/h3-9,17H,1-2H3,(H,22,23).
What are the key properties of 2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide?
2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide has a molecular weight of 357.30 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 51150833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).