5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide

C13H17BrN2O3 — CID 47100697

IUPAC5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cc(Br)ccc1O
InChIInChI=1S/C13H17BrN2O3/c14-10-1-2-12(17)11(9-10)13(18)15-3-4-16-5-7-19-8-6-16/h1-2,9,17H,3-8H2,(H,15,18)
InChIKeyQDLPVVDJJJFKFH-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.22
Rot. Bonds4

About 5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide

5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 47100697) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID47100697
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cc(Br)ccc1O
InChIInChI=1S/C13H17BrN2O3/c14-10-1-2-12(17)11(9-10)13(18)15-3-4-16-5-7-19-8-6-16/h1-2,9,17H,3-8H2,(H,15,18)
InChIKeyQDLPVVDJJJFKFH-UHFFFAOYSA-N
XLogP1.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-iodo-N-(2-morpholin-4-ylethyl)benzamide
CID 103600398
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-[(5-bromo-2-hydroxyphenyl)sulfonylmethyl]-5-chloro-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 167540743
5-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-3-cyclopropyl-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 155597994
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2933815
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42747855
6-hydroxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 59995050

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide (CID 47100697) is 5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is QDLPVVDJJJFKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c14-10-1-2-12(17)11(9-10)13(18)15-3-4-16-5-7-19-8-6-16/h1-2,9,17H,3-8H2,(H,15,18).
What are the key properties of 5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide?
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 329.19 g/mol, XLogP of 1.22, 4 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-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 47100697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).