4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide

C14H16BrFN2O3 — CID 107953173

IUPAC4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H16BrFN2O3/c1-2-17-13(19)12-8-21-6-5-18(12)14(20)9-3-4-11(16)10(15)7-9/h3-4,7,12H,2,5-6,8H2,1H3,(H,17,19)
InChIKeyCHOXFRRXJDDZQM-UHFFFAOYSA-N
MW359.20 g/mol
LogP1.57
Rot. Bonds3

About 4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide

4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 107953173) has the molecular formula C14H16BrFN2O3 and a molecular weight of 359.20 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
PubChem CID107953173
Molecular FormulaC14H16BrFN2O3
Molecular Weight359.20 g/mol
Exact Mass358.03
IUPAC Name4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H16BrFN2O3/c1-2-17-13(19)12-8-21-6-5-18(12)14(20)9-3-4-11(16)10(15)7-9/h3-4,7,12H,2,5-6,8H2,1H3,(H,17,19)
InChIKeyCHOXFRRXJDDZQM-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 104852955
N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
CID 83100853
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794
4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83098199
4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83098499
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide
CID 83098188
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 83098826
4-(2-chloro-5-sulfanylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107034008
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide (CID 107953173) is 4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is CHOXFRRXJDDZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O3/c1-2-17-13(19)12-8-21-6-5-18(12)14(20)9-3-4-11(16)10(15)7-9/h3-4,7,12H,2,5-6,8H2,1H3,(H,17,19).
What are the key properties of 4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide?
4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 359.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 107953173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).