4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

C18H17BrN2O3 — CID 2211185

IUPAC4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O3/c19-14-7-5-13(6-8-14)17(22)20-16-4-2-1-3-15(16)18(23)21-9-11-24-12-10-21/h1-8H,9-12H2,(H,20,22)
InChIKeyMKNWSSMUVVRQFI-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.17
Rot. Bonds3

About 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 2211185) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID2211185
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O3/c19-14-7-5-13(6-8-14)17(22)20-16-4-2-1-3-15(16)18(23)21-9-11-24-12-10-21/h1-8H,9-12H2,(H,20,22)
InChIKeyMKNWSSMUVVRQFI-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (CID 2211185) is 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is MKNWSSMUVVRQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c19-14-7-5-13(6-8-14)17(22)20-16-4-2-1-3-15(16)18(23)21-9-11-24-12-10-21/h1-8H,9-12H2,(H,20,22).
What are the key properties of 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 389.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 2211185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).