2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide

C17H19FN2O2 — CID 110009403

IUPAC2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
SMILESCN(Cc1ccc(CO)cc1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O2/c1-20(10-12-5-7-13(11-21)8-6-12)16(17(19)22)14-3-2-4-15(18)9-14/h2-9,16,21H,10-11H2,1H3,(H2,19,22)
InChIKeyHKPXGXLJWONLIU-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.98
Rot. Bonds6

About 2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide

2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide (PubChem CID 110009403) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
PubChem CID110009403
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
SMILESCN(Cc1ccc(CO)cc1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O2/c1-20(10-12-5-7-13(11-21)8-6-12)16(17(19)22)14-3-2-4-15(18)9-14/h2-9,16,21H,10-11H2,1H3,(H2,19,22)
InChIKeyHKPXGXLJWONLIU-UHFFFAOYSA-N
XLogP1.98
TPSA66.56 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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-2-[methyl-[(4-phenylphenyl)methyl]amino]acetamide
CID 86886828
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
CID 68952302
methyl 3-[[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylate
CID 97054655
2-(3-fluorophenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 71986954
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
(2R)-2-(3-fluorophenyl)-2-[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetamide
CID 95900005
2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide
CID 78815730
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 71986955
(2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 97158492
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide
CID 110930711
4-[[1-(3-fluorophenyl)ethyl-methylamino]methyl]benzoic acid
CID 65056307
(2R)-2-(4-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 31882368

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide (CID 110009403) is 2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide is CN(Cc1ccc(CO)cc1)C(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide?
The InChIKey is HKPXGXLJWONLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-20(10-12-5-7-13(11-21)8-6-12)16(17(19)22)14-3-2-4-15(18)9-14/h2-9,16,21H,10-11H2,1H3,(H2,19,22).
What are the key properties of 2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide?
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide has a molecular weight of 302.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 110009403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).