4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide

C14H17BrN2O3 — CID 104852956

IUPAC4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H17BrN2O3/c1-9-5-10(7-11(15)6-9)14(19)17-3-4-20-8-12(17)13(18)16-2/h5-7,12H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyKNTHDNUHJXPWLF-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.34
Rot. Bonds2

About 4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide

4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide (PubChem CID 104852956) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
PubChem CID104852956
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H17BrN2O3/c1-9-5-10(7-11(15)6-9)14(19)17-3-4-20-8-12(17)13(18)16-2/h5-7,12H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyKNTHDNUHJXPWLF-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-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 104852955
4-(3-bromo-5-methylbenzoyl)morpholine-3-carboxylic acid
CID 113460502
(3-bromo-5-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832498
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 115999662
N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
CID 107034036
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83099962
4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83097227
4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83100375
methyl 4-(3-bromo-5-fluorobenzoyl)morpholine-3-carboxylate
CID 115670141

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide (CID 104852956) is 4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is KNTHDNUHJXPWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-9-5-10(7-11(15)6-9)14(19)17-3-4-20-8-12(17)13(18)16-2/h5-7,12H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide?
4-(3-bromo-5-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-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 104852956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).