4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide

C13H14BrFN2O3 — CID 114559720

IUPAC4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H14BrFN2O3/c1-16-12(18)10-7-20-6-5-17(10)13(19)11-8(14)3-2-4-9(11)15/h2-4,10H,5-7H2,1H3,(H,16,18)
InChIKeySSVGRILBBZQQMY-UHFFFAOYSA-N
MW345.17 g/mol
LogP1.18
Rot. Bonds2

About 4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide

4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide (PubChem CID 114559720) has the molecular formula C13H14BrFN2O3 and a molecular weight of 345.17 g/mol. Its IUPAC name is 4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
PubChem CID114559720
Molecular FormulaC13H14BrFN2O3
Molecular Weight345.17 g/mol
Exact Mass344.02
IUPAC Name4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H14BrFN2O3/c1-16-12(18)10-7-20-6-5-17(10)13(19)11-8(14)3-2-4-9(11)15/h2-4,10H,5-7H2,1H3,(H,16,18)
InChIKeySSVGRILBBZQQMY-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-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83100374
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181
4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106473
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83097227
4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylic acid
CID 107013662
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405
4-(2-fluoro-5-sulfanylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 107034027
4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83099962
4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83100375
N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
CID 107034036
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide (CID 114559720) is 4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1c(F)cccc1Br.
What is the InChIKey of 4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is SSVGRILBBZQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O3/c1-16-12(18)10-7-20-6-5-17(10)13(19)11-8(14)3-2-4-9(11)15/h2-4,10H,5-7H2,1H3,(H,16,18).
What are the key properties of 4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide?
4-(2-bromo-6-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-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 114559720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).