2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide

C17H19FN2O2 — CID 8909173

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O2/c1-20(11-13-5-3-6-14(18)9-13)12-17(21)19-15-7-4-8-16(10-15)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyUPWASNRCHNLACR-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.90
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide

2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 8909173) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID8909173
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O2/c1-20(11-13-5-3-6-14(18)9-13)12-17(21)19-15-7-4-8-16(10-15)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyUPWASNRCHNLACR-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-[(3-fluorophenyl)methyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 46561832
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 31379931
N-(3,5-dichlorophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698222
2-[(3-methoxyphenyl)methyl-methylamino]-N-(4-phenylphenyl)acetamide
CID 8794801
N-(3-chloro-4-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794634
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide (CID 8909173) is 2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)Cc2cccc(F)c2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is UPWASNRCHNLACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-20(11-13-5-3-6-14(18)9-13)12-17(21)19-15-7-4-8-16(10-15)22-2/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 302.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 8909173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).