(2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide

C16H21FN2O3 — CID 95838198

IUPAC(2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide
SMILESCC(C)(C(=O)N1CCO[C@](C)(C(N)=O)C1)c1ccccc1F
InChIInChI=1S/C16H21FN2O3/c1-15(2,11-6-4-5-7-12(11)17)14(21)19-8-9-22-16(3,10-19)13(18)20/h4-7H,8-10H2,1-3H3,(H2,18,20)/t16-/m0/s1
InChIKeyDGRPTDCLZQBSRV-INIZCTEOSA-N
MW308.35 g/mol
LogP1.21
Rot. Bonds3

About (2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide

(2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide (PubChem CID 95838198) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is (2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide
PubChem CID95838198
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name(2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide
SMILESCC(C)(C(=O)N1CCO[C@](C)(C(N)=O)C1)c1ccccc1F
InChIInChI=1S/C16H21FN2O3/c1-15(2,11-6-4-5-7-12(11)17)14(21)19-8-9-22-16(3,10-19)13(18)20/h4-7H,8-10H2,1-3H3,(H2,18,20)/t16-/m0/s1
InChIKeyDGRPTDCLZQBSRV-INIZCTEOSA-N
XLogP1.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide (CID 95838198) is (2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide is CC(C)(C(=O)N1CCO[C@](C)(C(N)=O)C1)c1ccccc1F.
What is the InChIKey of (2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide?
The InChIKey is DGRPTDCLZQBSRV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-15(2,11-6-4-5-7-12(11)17)14(21)19-8-9-22-16(3,10-19)13(18)20/h4-7H,8-10H2,1-3H3,(H2,18,20)/t16-/m0/s1.
What are the key properties of (2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide?
(2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(2-fluorophenyl)-2-methylpropanoyl]-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 95838198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).