4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide

C15H21BrN2O3 — CID 83101857

IUPAC4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cc(Br)ccc1C(C)O
InChIInChI=1S/C15H21BrN2O3/c1-3-17-15(20)14-9-21-7-6-18(14)13-8-11(16)4-5-12(13)10(2)19/h4-5,8,10,14,19H,3,6-7,9H2,1-2H3,(H,17,20)
InChIKeySNXAXDBYUDSNEA-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.84
Rot. Bonds4

About 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide

4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83101857) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83101857
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cc(Br)ccc1C(C)O
InChIInChI=1S/C15H21BrN2O3/c1-3-17-15(20)14-9-21-7-6-18(14)13-8-11(16)4-5-12(13)10(2)19/h4-5,8,10,14,19H,3,6-7,9H2,1-2H3,(H,17,20)
InChIKeySNXAXDBYUDSNEA-UHFFFAOYSA-N
XLogP1.84
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide
CID 83107194
4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide
CID 83107043
4-(5-bromo-2-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 114902124
4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83096413
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102955
4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83103969
N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83103963
4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide
CID 116797240
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 103590656
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide (CID 83101857) is 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1cc(Br)ccc1C(C)O.
What is the InChIKey of 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is SNXAXDBYUDSNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-3-17-15(20)14-9-21-7-6-18(14)13-8-11(16)4-5-12(13)10(2)19/h4-5,8,10,14,19H,3,6-7,9H2,1-2H3,(H,17,20).
What are the key properties of 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide?
4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 357.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83101857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).