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

C18H19FN2O2 — CID 9034829

IUPACN-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C)Cc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O2/c1-13(22)14-7-5-8-16(10-14)20-18(23)12-21(2)11-15-6-3-4-9-17(15)19/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyFCOOPCDMPBOHBO-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.10
Rot. Bonds6

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

N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 9034829) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
PubChem CID9034829
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C)Cc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O2/c1-13(22)14-7-5-8-16(10-14)20-18(23)12-21(2)11-15-6-3-4-9-17(15)19/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyFCOOPCDMPBOHBO-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 18078744
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 4818793
N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18078741
N-(3-acetylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334507
3-[[2-[(2-fluorophenyl)methyl-formylamino]acetyl]amino]benzoic acid
CID 134293862
N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048960
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113161495
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964034
N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035433
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2474016
N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666921
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide (CID 9034829) is N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide is CC(=O)c1cccc(NC(=O)CN(C)Cc2ccccc2F)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is FCOOPCDMPBOHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13(22)14-7-5-8-16(10-14)20-18(23)12-21(2)11-15-6-3-4-9-17(15)19/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide?
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 314.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9034829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).