4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide

C13H15FN2O3 — CID 84594373

IUPAC4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCOCC2C(N)=O)c(F)c1
InChIInChI=1S/C13H15FN2O3/c1-8-2-3-9(10(14)6-8)13(18)16-4-5-19-7-11(16)12(15)17/h2-3,6,11H,4-5,7H2,1H3,(H2,15,17)
InChIKeyPEMJMQVIVKQOHO-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.46
Rot. Bonds2

About 4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide

4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide (PubChem CID 84594373) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide
PubChem CID84594373
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCOCC2C(N)=O)c(F)c1
InChIInChI=1S/C13H15FN2O3/c1-8-2-3-9(10(14)6-8)13(18)16-4-5-19-7-11(16)12(15)17/h2-3,6,11H,4-5,7H2,1H3,(H2,15,17)
InChIKeyPEMJMQVIVKQOHO-UHFFFAOYSA-N
XLogP0.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide (CID 84594373) is 4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide is Cc1ccc(C(=O)N2CCOCC2C(N)=O)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide?
The InChIKey is PEMJMQVIVKQOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8-2-3-9(10(14)6-8)13(18)16-4-5-19-7-11(16)12(15)17/h2-3,6,11H,4-5,7H2,1H3,(H2,15,17).
What are the key properties of 4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide?
4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide has a molecular weight of 266.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylbenzoyl)morpholine-3-carboxamide is sourced from PubChem (CID 84594373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).