3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide

C19H19BrN2O4 — CID 56566780

IUPAC3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCc1cc(Br)c(O)c(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H19BrN2O4/c1-12-9-15(17(23)16(20)10-12)18(24)21-14-4-2-3-13(11-14)19(25)22-5-7-26-8-6-22/h2-4,9-11,23H,5-8H2,1H3,(H,21,24)
InChIKeyVHAZIETWJNMSRS-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.19
Rot. Bonds3

About 3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide

3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 56566780) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID56566780
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCc1cc(Br)c(O)c(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H19BrN2O4/c1-12-9-15(17(23)16(20)10-12)18(24)21-14-4-2-3-13(11-14)19(25)22-5-7-26-8-6-22/h2-4,9-11,23H,5-8H2,1H3,(H,21,24)
InChIKeyVHAZIETWJNMSRS-UHFFFAOYSA-N
XLogP3.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205432
5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
CID 17205565
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
6-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55797116
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
N-[3-(morpholine-4-carbonyl)phenyl]-2-phenylmethoxybenzamide
CID 175178131
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide (CID 56566780) is 3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide is Cc1cc(Br)c(O)c(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is VHAZIETWJNMSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-12-9-15(17(23)16(20)10-12)18(24)21-14-4-2-3-13(11-14)19(25)22-5-7-26-8-6-22/h2-4,9-11,23H,5-8H2,1H3,(H,21,24).
What are the key properties of 3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 419.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 56566780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).