4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide

C18H16BrFN2O4 — CID 60607234

IUPAC4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CCO1
InChIInChI=1S/C18H16BrFN2O4/c19-12-2-4-13(5-3-12)26-15-6-1-11(9-14(15)20)18(24)22-7-8-25-16(10-22)17(21)23/h1-6,9,16H,7-8,10H2,(H2,21,23)
InChIKeyJIRXCNYSJAKBEN-UHFFFAOYSA-N
MW423.24 g/mol
LogP2.71
Rot. Bonds4

About 4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide

4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide (PubChem CID 60607234) has the molecular formula C18H16BrFN2O4 and a molecular weight of 423.24 g/mol. Its IUPAC name is 4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide
PubChem CID60607234
Molecular FormulaC18H16BrFN2O4
Molecular Weight423.24 g/mol
Exact Mass422.03
IUPAC Name4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CCO1
InChIInChI=1S/C18H16BrFN2O4/c19-12-2-4-13(5-3-12)26-15-6-1-11(9-14(15)20)18(24)22-7-8-25-16(10-22)17(21)23/h1-6,9,16H,7-8,10H2,(H2,21,23)
InChIKeyJIRXCNYSJAKBEN-UHFFFAOYSA-N
XLogP2.71
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-4-methoxybenzoyl)morpholine-2-carbothioamide
CID 79675182
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-bromophenoxy)-3-fluorophenyl]methanone
CID 119631643
4-(3-fluoro-4-methylbenzoyl)morpholine-2-carbothioamide
CID 79675097
(2R)-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholine-2-carboxamide
CID 94371347
4-(3-bromobenzoyl)morpholine-2-carbothioamide
CID 79674488
4-(3-fluoro-4-nitrobenzoyl)morpholine-2-carboxylic acid
CID 62681609
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
4-(3-bromo-4-chlorobenzoyl)morpholine-2-carbothioamide
CID 107999080
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
[4-(4-chlorophenoxy)-3-fluorophenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492276
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 95623125

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide?
The IUPAC name of 4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide (CID 60607234) is 4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide is NC(=O)C1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CCO1.
What is the InChIKey of 4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide?
The InChIKey is JIRXCNYSJAKBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O4/c19-12-2-4-13(5-3-12)26-15-6-1-11(9-14(15)20)18(24)22-7-8-25-16(10-22)17(21)23/h1-6,9,16H,7-8,10H2,(H2,21,23).
What are the key properties of 4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide?
4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide has a molecular weight of 423.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenoxy)-3-fluorobenzoyl]morpholine-2-carboxamide is sourced from PubChem (CID 60607234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).