2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide

C17H18ClFN2O2 — CID 110930711

IUPAC2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide
SMILESCN(CC(O)c1ccccc1Cl)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H18ClFN2O2/c1-21(10-15(22)13-7-2-3-8-14(13)18)16(17(20)23)11-5-4-6-12(19)9-11/h2-9,15-16,22H,10H2,1H3,(H2,20,23)
InChIKeyKRUKLQSDZKZFHZ-UHFFFAOYSA-N
MW336.79 g/mol
LogP2.67
Rot. Bonds6

About 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide

2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide (PubChem CID 110930711) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide
PubChem CID110930711
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide
SMILESCN(CC(O)c1ccccc1Cl)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H18ClFN2O2/c1-21(10-15(22)13-7-2-3-8-14(13)18)16(17(20)23)11-5-4-6-12(19)9-11/h2-9,15-16,22H,10H2,1H3,(H2,20,23)
InChIKeyKRUKLQSDZKZFHZ-UHFFFAOYSA-N
XLogP2.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 52.67
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
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403
(2R)-2-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetamide
CID 52518182
2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 138003566
(2R)-2-(3-fluorophenyl)-2-[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetamide
CID 95900005
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 46678627
(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
CID 99107147
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 24584549
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
(2S)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 97158492
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 71986955

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide (CID 110930711) is 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide is CN(CC(O)c1ccccc1Cl)C(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide?
The InChIKey is KRUKLQSDZKZFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-21(10-15(22)13-7-2-3-8-14(13)18)16(17(20)23)11-5-4-6-12(19)9-11/h2-9,15-16,22H,10H2,1H3,(H2,20,23).
What are the key properties of 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide?
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide has a molecular weight of 336.79 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 110930711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).