2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide

C16H20FN3O3 — CID 56911131

IUPAC2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide
SMILESO=C(NC1CCC1)C1CN(C(=O)Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C16H20FN3O3/c17-11-4-6-13(7-5-11)19-16(22)20-8-9-23-14(10-20)15(21)18-12-2-1-3-12/h4-7,12,14H,1-3,8-10H2,(H,18,21)(H,19,22)
InChIKeyXVYYWUBHEWKDLX-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.73
Rot. Bonds3

About 2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide

2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide (PubChem CID 56911131) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide
PubChem CID56911131
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide
SMILESO=C(NC1CCC1)C1CN(C(=O)Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C16H20FN3O3/c17-11-4-6-13(7-5-11)19-16(22)20-8-9-23-14(10-20)15(21)18-12-2-1-3-12/h4-7,12,14H,1-3,8-10H2,(H,18,21)(H,19,22)
InChIKeyXVYYWUBHEWKDLX-UHFFFAOYSA-N
XLogP1.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 79675785
(2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide
CID 97348704
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920
3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53138057
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
N-(4-fluorophenyl)-3-morpholin-4-ylazetidine-1-carboxamide
CID 23140323
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
2-carbamothioyl-N-(4-chlorophenyl)morpholine-4-carboxamide
CID 79674938
4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid
CID 65437199
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide (CID 56911131) is 2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide is O=C(NC1CCC1)C1CN(C(=O)Nc2ccc(F)cc2)CCO1.
What is the InChIKey of 2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide?
The InChIKey is XVYYWUBHEWKDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-11-4-6-13(7-5-11)19-16(22)20-8-9-23-14(10-20)15(21)18-12-2-1-3-12/h4-7,12,14H,1-3,8-10H2,(H,18,21)(H,19,22).
What are the key properties of 2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide?
2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide has a molecular weight of 321.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide is sourced from PubChem (CID 56911131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).