(2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide

C17H16FN3O — CID 37414985

IUPAC(2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide
SMILESCN(Cc1cc(C#N)ccc1F)[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C17H16FN3O/c1-21(11-14-9-12(10-19)7-8-15(14)18)16(17(20)22)13-5-3-2-4-6-13/h2-9,16H,11H2,1H3,(H2,20,22)/t16-/m0/s1
InChIKeyHVAFYLUFPUUNPP-INIZCTEOSA-N
MW297.33 g/mol
LogP2.36
Rot. Bonds5

About (2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide

(2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide (PubChem CID 37414985) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is (2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide
PubChem CID37414985
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name(2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide
SMILESCN(Cc1cc(C#N)ccc1F)[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C17H16FN3O/c1-21(11-14-9-12(10-19)7-8-15(14)18)16(17(20)22)13-5-3-2-4-6-13/h2-9,16H,11H2,1H3,(H2,20,22)/t16-/m0/s1
InChIKeyHVAFYLUFPUUNPP-INIZCTEOSA-N
XLogP2.36
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide (CID 37414985) is (2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide is CN(Cc1cc(C#N)ccc1F)[C@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide?
The InChIKey is HVAFYLUFPUUNPP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-21(11-14-9-12(10-19)7-8-15(14)18)16(17(20)22)13-5-3-2-4-6-13/h2-9,16H,11H2,1H3,(H2,20,22)/t16-/m0/s1.
What are the key properties of (2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide?
(2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide has a molecular weight of 297.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide is sourced from PubChem (CID 37414985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).