3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide

C17H23BrN2O2 — CID 177227551

IUPAC3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H23BrN2O2/c18-16-3-1-13(2-4-16)14-11-15(12-14)17(21)19-5-6-20-7-9-22-10-8-20/h1-4,14-15H,5-12H2,(H,19,21)
InChIKeyMYLUCYZVZIUJFE-UHFFFAOYSA-N
MW367.29 g/mol
LogP2.39
Rot. Bonds5

About 3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide

3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide (PubChem CID 177227551) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
PubChem CID177227551
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H23BrN2O2/c18-16-3-1-13(2-4-16)14-11-15(12-14)17(21)19-5-6-20-7-9-22-10-8-20/h1-4,14-15H,5-12H2,(H,19,21)
InChIKeyMYLUCYZVZIUJFE-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutane-1-carboxamide
CID 177227331
3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633757
1-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113188045
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
3-chloro-5-methylidene-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 123912701
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697
N-(2-morpholin-4-ylethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74653698
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide (CID 177227551) is 3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide is O=C(NCCN1CCOCC1)C1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is MYLUCYZVZIUJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c18-16-3-1-13(2-4-16)14-11-15(12-14)17(21)19-5-6-20-7-9-22-10-8-20/h1-4,14-15H,5-12H2,(H,19,21).
What are the key properties of 3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide?
3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 177227551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).