4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide

C14H20BrN2O3+ — CID 6953032

IUPAC4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide
SMILESO=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/c15-12-3-1-11(2-4-12)14(19)16-9-13(18)10-17-5-7-20-8-6-17/h1-4,13,18H,5-10H2,(H,16,19)/p+1/t13-/m1/s1
InChIKeyPKCBFDFQEUZSPT-CYBMUJFWSA-O
MW344.23 g/mol
LogP-0.55
Rot. Bonds5

About 4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide

4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide (PubChem CID 6953032) has the molecular formula C14H20BrN2O3+ and a molecular weight of 344.23 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide
PubChem CID6953032
Molecular FormulaC14H20BrN2O3+
Molecular Weight344.23 g/mol
Exact Mass343.07
IUPAC Name4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide
SMILESO=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/c15-12-3-1-11(2-4-12)14(19)16-9-13(18)10-17-5-7-20-8-6-17/h1-4,13,18H,5-10H2,(H,16,19)/p+1/t13-/m1/s1
InChIKeyPKCBFDFQEUZSPT-CYBMUJFWSA-O
XLogP-0.55
TPSA63.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834490
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 110369907

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide?
The IUPAC name of 4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide (CID 6953032) is 4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide is O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide?
The InChIKey is PKCBFDFQEUZSPT-CYBMUJFWSA-O. The full InChI is InChI=1S/C14H19BrN2O3/c15-12-3-1-11(2-4-12)14(19)16-9-13(18)10-17-5-7-20-8-6-17/h1-4,13,18H,5-10H2,(H,16,19)/p+1/t13-/m1/s1.
What are the key properties of 4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide?
4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide has a molecular weight of 344.23 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide is sourced from PubChem (CID 6953032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).