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

C19H21BrN2O3 — CID 979232

IUPAC3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-24-18-7-4-15(12-17(18)20)19(23)21-16-5-2-14(3-6-16)13-22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyWTSOTBHOQMAVTQ-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.54
Rot. Bonds5

About 3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide

3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (PubChem CID 979232) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
PubChem CID979232
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-24-18-7-4-15(12-17(18)20)19(23)21-16-5-2-14(3-6-16)13-22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyWTSOTBHOQMAVTQ-UHFFFAOYSA-N
XLogP3.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (CID 979232) is 3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The InChIKey is WTSOTBHOQMAVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-24-18-7-4-15(12-17(18)20)19(23)21-16-5-2-14(3-6-16)13-22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23).
What are the key properties of 3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide has a molecular weight of 405.29 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 979232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).