5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

C16H23BrN2O3 — CID 46523422

IUPAC5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cc(Br)ccc2O)C1
InChIInChI=1S/C16H23BrN2O3/c1-11(2)9-19-5-6-22-13(10-19)8-18-16(21)14-7-12(17)3-4-15(14)20/h3-4,7,11,13,20H,5-6,8-10H2,1-2H3,(H,18,21)
InChIKeySIKXLTYBZFVYHW-UHFFFAOYSA-N
MW371.28 g/mol
LogP2.24
Rot. Bonds5

About 5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (PubChem CID 46523422) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
PubChem CID46523422
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Name5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cc(Br)ccc2O)C1
InChIInChI=1S/C16H23BrN2O3/c1-11(2)9-19-5-6-22-13(10-19)8-18-16(21)14-7-12(17)3-4-15(14)20/h3-4,7,11,13,20H,5-6,8-10H2,1-2H3,(H,18,21)
InChIKeySIKXLTYBZFVYHW-UHFFFAOYSA-N
XLogP2.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 42944288
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56559807
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 39484110

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (CID 46523422) is 5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is CC(C)CN1CCOC(CNC(=O)c2cc(Br)ccc2O)C1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is SIKXLTYBZFVYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-11(2)9-19-5-6-22-13(10-19)8-18-16(21)14-7-12(17)3-4-15(14)20/h3-4,7,11,13,20H,5-6,8-10H2,1-2H3,(H,18,21).
What are the key properties of 5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 371.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 46523422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).