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

C18H17BrN2O3 — CID 1304814

IUPAC3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(Br)c1
InChIInChI=1S/C18H17BrN2O3/c19-15-3-1-2-14(12-15)17(22)20-16-6-4-13(5-7-16)18(23)21-8-10-24-11-9-21/h1-7,12H,8-11H2,(H,20,22)
InChIKeyYZKCDLBXZFSMRU-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.17
Rot. Bonds3

About 3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 1304814) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID1304814
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(Br)c1
InChIInChI=1S/C18H17BrN2O3/c19-15-3-1-2-14(12-15)17(22)20-16-6-4-13(5-7-16)18(23)21-8-10-24-11-9-21/h1-7,12H,8-11H2,(H,20,22)
InChIKeyYZKCDLBXZFSMRU-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 3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (CID 1304814) is 3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is YZKCDLBXZFSMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c19-15-3-1-2-14(12-15)17(22)20-16-6-4-13(5-7-16)18(23)21-8-10-24-11-9-21/h1-7,12H,8-11H2,(H,20,22).
What are the key properties of 3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
3-bromo-N-[4-(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 3-bromo-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 1304814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).