4-(4-fluorobenzoyl)morpholine-3-carboxamide

C12H13FN2O3 — CID 83093019

IUPAC4-(4-fluorobenzoyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3/c13-9-3-1-8(2-4-9)12(17)15-5-6-18-7-10(15)11(14)16/h1-4,10H,5-7H2,(H2,14,16)
InChIKeyPCNOCVCUVASTBY-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.15
Rot. Bonds2

About 4-(4-fluorobenzoyl)morpholine-3-carboxamide

4-(4-fluorobenzoyl)morpholine-3-carboxamide (PubChem CID 83093019) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)morpholine-3-carboxamide
PubChem CID83093019
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name4-(4-fluorobenzoyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3/c13-9-3-1-8(2-4-9)12(17)15-5-6-18-7-10(15)11(14)16/h1-4,10H,5-7H2,(H2,14,16)
InChIKeyPCNOCVCUVASTBY-UHFFFAOYSA-N
XLogP0.15
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide
CID 102852003
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707
4-(2-oxo-1H-pyridine-4-carbonyl)morpholine-3-carboxamide
CID 103889379
(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 83096346
4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
CID 83095785
4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
CID 104783187
4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)morpholine-3-carboxamide
CID 83097717
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide
CID 83094011
4-(2-fluoro-5-nitrobenzoyl)morpholine-3-carboxamide
CID 83097346

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-fluorobenzoyl)morpholine-3-carboxamide (CID 83093019) is 4-(4-fluorobenzoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-fluorobenzoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-fluorobenzoyl)morpholine-3-carboxamide is NC(=O)C1COCCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorobenzoyl)morpholine-3-carboxamide?
The InChIKey is PCNOCVCUVASTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-9-3-1-8(2-4-9)12(17)15-5-6-18-7-10(15)11(14)16/h1-4,10H,5-7H2,(H2,14,16).
What are the key properties of 4-(4-fluorobenzoyl)morpholine-3-carboxamide?
4-(4-fluorobenzoyl)morpholine-3-carboxamide has a molecular weight of 252.25 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83093019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).