4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide

C18H19BrN2O2 — CID 979194

IUPAC4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O2/c19-16-5-3-15(4-6-16)18(22)20-17-7-1-14(2-8-17)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeySDRFDCCLQHBOMS-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.53
Rot. Bonds4

About 4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide

4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (PubChem CID 979194) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
PubChem CID979194
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O2/c19-16-5-3-15(4-6-16)18(22)20-17-7-1-14(2-8-17)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeySDRFDCCLQHBOMS-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (CID 979194) is 4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The InChIKey is SDRFDCCLQHBOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-16-5-3-15(4-6-16)18(22)20-17-7-1-14(2-8-17)13-21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of 4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide has a molecular weight of 375.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 979194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).