N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C19H18FN3O4 — CID 139011170

IUPACN-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)Nc2ccc(F)c(C(N)=O)c2)C1c1ccccc1
InChIInChI=1S/C19H18FN3O4/c1-23-15(24)10-27-17(16(23)11-5-3-2-4-6-11)19(26)22-12-7-8-14(20)13(9-12)18(21)25/h2-9,16-17H,10H2,1H3,(H2,21,25)(H,22,26)
InChIKeyOSKHRUHNUBUJLH-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.46
Rot. Bonds4

About N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 139011170) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID139011170
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)Nc2ccc(F)c(C(N)=O)c2)C1c1ccccc1
InChIInChI=1S/C19H18FN3O4/c1-23-15(24)10-27-17(16(23)11-5-3-2-4-6-11)19(26)22-12-7-8-14(20)13(9-12)18(21)25/h2-9,16-17H,10H2,1H3,(H2,21,25)(H,22,26)
InChIKeyOSKHRUHNUBUJLH-UHFFFAOYSA-N
XLogP1.46
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 139011170) is N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CN1C(=O)COC(C(=O)Nc2ccc(F)c(C(N)=O)c2)C1c1ccccc1.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is OSKHRUHNUBUJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-23-15(24)10-27-17(16(23)11-5-3-2-4-6-11)19(26)22-12-7-8-14(20)13(9-12)18(21)25/h2-9,16-17H,10H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 139011170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).