N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide

C17H18F2N2O2 — CID 8778357

IUPACN-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H18F2N2O2/c1-21(10-12-3-6-14(23-2)7-4-12)11-17(22)20-16-9-13(18)5-8-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyNHLJVIYARLDGMQ-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.04
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide

N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8778357) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID8778357
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC NameN-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H18F2N2O2/c1-21(10-12-3-6-14(23-2)7-4-12)11-17(22)20-16-9-13(18)5-8-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyNHLJVIYARLDGMQ-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

N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401827
N-(2,5-difluorophenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 2575958
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197689
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8761436
N-(2-fluoro-4-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054134
N-(2,5-dimethoxyphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8907896
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide (CID 8778357) is N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(=O)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is NHLJVIYARLDGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-21(10-12-3-6-14(23-2)7-4-12)11-17(22)20-16-9-13(18)5-8-15(16)19/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]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 N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8778357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).