5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

C13H17BrN2O3 — CID 103719384

IUPAC5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H17BrN2O3/c1-8(2)16-12(18)5-6-15-13(19)10-7-9(14)3-4-11(10)17/h3-4,7-8,17H,5-6H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyLEGYOMYOGSFWIC-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.80
Rot. Bonds5

About 5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (PubChem CID 103719384) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
PubChem CID103719384
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H17BrN2O3/c1-8(2)16-12(18)5-6-15-13(19)10-7-9(14)3-4-11(10)17/h3-4,7-8,17H,5-6H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyLEGYOMYOGSFWIC-UHFFFAOYSA-N
XLogP1.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 114372816
2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113345159
5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 107729793
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47100210
2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113257280
2-bromo-5-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113221942
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium
CID 7188682
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (CID 103719384) is 5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is CC(C)NC(=O)CCNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is LEGYOMYOGSFWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-8(2)16-12(18)5-6-15-13(19)10-7-9(14)3-4-11(10)17/h3-4,7-8,17H,5-6H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 329.19 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 103719384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).