2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide

C17H18F2N2O2 — CID 86861767

IUPAC2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide
SMILESCOc1c(F)cc(NC(=O)CN(C)Cc2ccccc2)cc1F
InChIInChI=1S/C17H18F2N2O2/c1-21(10-12-6-4-3-5-7-12)11-16(22)20-13-8-14(18)17(23-2)15(19)9-13/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyKCNIFZOHSZYJGS-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.04
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide

2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide (PubChem CID 86861767) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide
PubChem CID86861767
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide
SMILESCOc1c(F)cc(NC(=O)CN(C)Cc2ccccc2)cc1F
InChIInChI=1S/C17H18F2N2O2/c1-21(10-12-6-4-3-5-7-12)11-16(22)20-13-8-14(18)17(23-2)15(19)9-13/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyKCNIFZOHSZYJGS-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 30796172
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18078741
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
2-[benzyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8901380
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
2-[(3-methoxyphenyl)methyl-methylamino]-N-(4-phenylphenyl)acetamide
CID 8794801
N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide (CID 86861767) is 2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide is COc1c(F)cc(NC(=O)CN(C)Cc2ccccc2)cc1F.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide?
The InChIKey is KCNIFZOHSZYJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-21(10-12-6-4-3-5-7-12)11-16(22)20-13-8-14(18)17(23-2)15(19)9-13/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide?
2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide has a molecular weight of 320.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 86861767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).