N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide

C17H17ClFNO2 — CID 86907560

IUPACN-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)Cc2ccccc2Cl)cc1F
InChIInChI=1S/C17H17ClFNO2/c1-20(11-13-5-3-4-6-14(13)18)17(21)10-12-7-8-16(22-2)15(19)9-12/h3-9H,10-11H2,1-2H3
InChIKeyHTSKSOPIBRPMEE-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide

N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide (PubChem CID 86907560) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
PubChem CID86907560
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)Cc2ccccc2Cl)cc1F
InChIInChI=1S/C17H17ClFNO2/c1-20(11-13-5-3-4-6-14(13)18)17(21)10-12-7-8-16(22-2)15(19)9-12/h3-9H,10-11H2,1-2H3
InChIKeyHTSKSOPIBRPMEE-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 55328984
2-(4-acetamidophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 17485829
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691558
1-(2-chloro-6-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966192
2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 26731799
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 17489631

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide (CID 86907560) is N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)Cc2ccccc2Cl)cc1F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
The InChIKey is HTSKSOPIBRPMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-20(11-13-5-3-4-6-14(13)18)17(21)10-12-7-8-16(22-2)15(19)9-12/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide has a molecular weight of 321.78 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 86907560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).