4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide

C13H14BrFN2O3 — CID 107953181

IUPAC4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H14BrFN2O3/c1-16-12(18)11-7-20-5-4-17(11)13(19)8-2-3-10(15)9(14)6-8/h2-3,6,11H,4-5,7H2,1H3,(H,16,18)
InChIKeyXJDJPJUVNGQYMZ-UHFFFAOYSA-N
MW345.17 g/mol
LogP1.18
Rot. Bonds2

About 4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide

4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide (PubChem CID 107953181) has the molecular formula C13H14BrFN2O3 and a molecular weight of 345.17 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
PubChem CID107953181
Molecular FormulaC13H14BrFN2O3
Molecular Weight345.17 g/mol
Exact Mass344.02
IUPAC Name4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H14BrFN2O3/c1-16-12(18)11-7-20-5-4-17(11)13(19)8-2-3-10(15)9(14)6-8/h2-3,6,11H,4-5,7H2,1H3,(H,16,18)
InChIKeyXJDJPJUVNGQYMZ-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107953173
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 114559720
N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
CID 107034036
4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106686
4-(2-fluoro-5-sulfanylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 107034027
4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 104852956
4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83097227
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83099962

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide (CID 107953181) is 4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is XJDJPJUVNGQYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O3/c1-16-12(18)11-7-20-5-4-17(11)13(19)8-2-3-10(15)9(14)6-8/h2-3,6,11H,4-5,7H2,1H3,(H,16,18).
What are the key properties of 4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide?
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 345.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 107953181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).