3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide

C17H17F2NO3 — CID 46492035

IUPAC3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2C)cc1OC(F)F
InChIInChI=1S/C17H17F2NO3/c1-11-5-3-4-6-13(11)10-20-16(21)12-7-8-14(22-2)15(9-12)23-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21)
InChIKeyDQEOKJPISNBSAU-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.54
Rot. Bonds6

About 3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide

3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 46492035) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
PubChem CID46492035
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2C)cc1OC(F)F
InChIInChI=1S/C17H17F2NO3/c1-11-5-3-4-6-13(11)10-20-16(21)12-7-8-14(22-2)15(9-12)23-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21)
InChIKeyDQEOKJPISNBSAU-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea
CID 38326796
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 51122096
3-(difluoromethoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzamide
CID 47040736
2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169645
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 56807264
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide (CID 46492035) is 3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide is COc1ccc(C(=O)NCc2ccccc2C)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is DQEOKJPISNBSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-11-5-3-4-6-13(11)10-20-16(21)12-7-8-14(22-2)15(9-12)23-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21).
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide?
3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 321.32 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 46492035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).