3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C17H14F5NO2 — CID 136577410

IUPAC3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H14F5NO2/c1-23(10-11-4-2-6-13(8-11)17(20,21)22)15(24)12-5-3-7-14(9-12)25-16(18)19/h2-9,16H,10H2,1H3
InChIKeyIEKGJFGYNFMUCY-UHFFFAOYSA-N
MW359.29 g/mol
LogP4.58
Rot. Bonds5

About 3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 136577410) has the molecular formula C17H14F5NO2 and a molecular weight of 359.29 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID136577410
Molecular FormulaC17H14F5NO2
Molecular Weight359.29 g/mol
Exact Mass359.09
IUPAC Name3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H14F5NO2/c1-23(10-11-4-2-6-13(8-11)17(20,21)22)15(24)12-5-3-7-14(9-12)25-16(18)19/h2-9,16H,10H2,1H3
InChIKeyIEKGJFGYNFMUCY-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112792497
5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 171547604
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598
[3-(trifluoromethyl)phenyl]methyl 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 42970121
N-methyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 51123670
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 146085025
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 29182024
3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452126
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46565897

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 136577410) is 3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is IEKGJFGYNFMUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5NO2/c1-23(10-11-4-2-6-13(8-11)17(20,21)22)15(24)12-5-3-7-14(9-12)25-16(18)19/h2-9,16H,10H2,1H3.
What are the key properties of 3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 359.29 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 136577410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).