4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide

C14H17BrN2O3 — CID 83100374

IUPAC4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1cccc(Br)c1C
InChIInChI=1S/C14H17BrN2O3/c1-9-10(4-3-5-11(9)15)14(19)17-6-7-20-8-12(17)13(18)16-2/h3-5,12H,6-8H2,1-2H3,(H,16,18)
InChIKeyQETXWQYJIATZGC-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.34
Rot. Bonds2

About 4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide

4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83100374) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
PubChem CID83100374
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1cccc(Br)c1C
InChIInChI=1S/C14H17BrN2O3/c1-9-10(4-3-5-11(9)15)14(19)17-6-7-20-8-12(17)13(18)16-2/h3-5,12H,6-8H2,1-2H3,(H,16,18)
InChIKeyQETXWQYJIATZGC-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83098499
4-(2-bromo-6-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 114559720
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405
4-(2-amino-3-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099510
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide
CID 83104137
4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106473
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470568
4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83097227
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide (CID 83100374) is 4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1cccc(Br)c1C.
What is the InChIKey of 4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is QETXWQYJIATZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-9-10(4-3-5-11(9)15)14(19)17-6-7-20-8-12(17)13(18)16-2/h3-5,12H,6-8H2,1-2H3,(H,16,18).
What are the key properties of 4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83100374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).