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

C15H19BrN2O3 — CID 104852955

IUPAC4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H19BrN2O3/c1-3-17-14(19)13-9-21-5-4-18(13)15(20)11-6-10(2)7-12(16)8-11/h6-8,13H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyNUDBEONXUYQRTE-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.73
Rot. Bonds3

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

4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 104852955) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
PubChem CID104852955
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H19BrN2O3/c1-3-17-14(19)13-9-21-5-4-18(13)15(20)11-6-10(2)7-12(16)8-11/h6-8,13H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyNUDBEONXUYQRTE-UHFFFAOYSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 104852956
4-(3-bromo-5-methylbenzoyl)morpholine-3-carboxylic acid
CID 113460502
(3-bromo-5-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832498
4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107953173
N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
CID 83100853
4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83098499
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83098199
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide
CID 107034016
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 83098826

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide (CID 104852955) is 4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is NUDBEONXUYQRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-3-17-14(19)13-9-21-5-4-18(13)15(20)11-6-10(2)7-12(16)8-11/h6-8,13H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of 4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide?
4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 355.23 g/mol, XLogP of 1.73, 3 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-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 104852955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).