N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide

C17H19FN2O2 — CID 110881852

IUPACN-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CNc1cccc(CO)c1
InChIInChI=1S/C17H19FN2O2/c1-20(11-14-6-2-3-8-16(14)18)17(22)10-19-15-7-4-5-13(9-15)12-21/h2-9,19,21H,10-12H2,1H3
InChIKeyAOEYAHZYNZJEDM-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.39
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide

N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide (PubChem CID 110881852) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide
PubChem CID110881852
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CNc1cccc(CO)c1
InChIInChI=1S/C17H19FN2O2/c1-20(11-14-6-2-3-8-16(14)18)17(22)10-19-15-7-4-5-13(9-15)12-21/h2-9,19,21H,10-12H2,1H3
InChIKeyAOEYAHZYNZJEDM-UHFFFAOYSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466993
N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43433505
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide
CID 110881844
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692
N-[(2-fluorophenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86908480
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
N-[3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839121
N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide
CID 54824566
3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 61413671
2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60683217
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78914133

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide (CID 110881852) is N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CNc1cccc(CO)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide?
The InChIKey is AOEYAHZYNZJEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-20(11-14-6-2-3-8-16(14)18)17(22)10-19-15-7-4-5-13(9-15)12-21/h2-9,19,21H,10-12H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide?
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide has a molecular weight of 302.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]-N-methylacetamide is sourced from PubChem (CID 110881852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).