3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide

C18H19BrN2O3 — CID 661633

IUPAC3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1Br
InChIInChI=1S/C18H19BrN2O3/c1-23-17-7-6-13(12-14(17)19)18(22)20-15-4-2-3-5-16(15)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyKCOSQJOZUAUDEJ-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.55
Rot. Bonds4

About 3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide

3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide (PubChem CID 661633) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide
PubChem CID661633
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1Br
InChIInChI=1S/C18H19BrN2O3/c1-23-17-7-6-13(12-14(17)19)18(22)20-15-4-2-3-5-16(15)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyKCOSQJOZUAUDEJ-UHFFFAOYSA-N
XLogP3.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.55
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-(2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide (CID 661633) is 3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide is COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide?
The InChIKey is KCOSQJOZUAUDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-23-17-7-6-13(12-14(17)19)18(22)20-15-4-2-3-5-16(15)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of 3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide?
3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide has a molecular weight of 391.27 g/mol, XLogP of 3.55, 4 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-(2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 661633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).