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

C15H19BrN2O3 — CID 83098499

IUPAC4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cccc(Br)c1C
InChIInChI=1S/C15H19BrN2O3/c1-3-17-14(19)13-9-21-8-7-18(13)15(20)11-5-4-6-12(16)10(11)2/h4-6,13H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyZBCAVJBFRBWNBA-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.73
Rot. Bonds3

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

4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83098499) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83098499
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cccc(Br)c1C
InChIInChI=1S/C15H19BrN2O3/c1-3-17-14(19)13-9-21-8-7-18(13)15(20)11-5-4-6-12(16)10(11)2/h4-6,13H,3,7-9H2,1-2H3,(H,17,19)
InChIKeyZBCAVJBFRBWNBA-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-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83100374
4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 104852955
4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107953173
N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
CID 83100853
4-(2-chloro-5-sulfanylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107034008
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794
(3-bromo-2-methylphenyl)-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470568
4-(2-amino-2-phenylacetyl)-N-ethylmorpholine-3-carboxamide
CID 83098419
4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide
CID 83104137
4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 114918798
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
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-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide (CID 83098499) is 4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)c1cccc(Br)c1C.
What is the InChIKey of 4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is ZBCAVJBFRBWNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-3-17-14(19)13-9-21-8-7-18(13)15(20)11-5-4-6-12(16)10(11)2/h4-6,13H,3,7-9H2,1-2H3,(H,17,19).
What are the key properties of 4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide?
4-(3-bromo-2-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-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83098499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).