5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide

C12H16BrNO4 — CID 103877758

IUPAC5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
SMILESCOCC(O)CCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H16BrNO4/c1-18-7-9(15)4-5-14-12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyAEAFSMCHQKBCCI-UHFFFAOYSA-N
MW318.17 g/mol
LogP1.28
Rot. Bonds6

About 5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide

5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide (PubChem CID 103877758) has the molecular formula C12H16BrNO4 and a molecular weight of 318.17 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
PubChem CID103877758
Molecular FormulaC12H16BrNO4
Molecular Weight318.17 g/mol
Exact Mass317.03
IUPAC Name5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
SMILESCOCC(O)CCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H16BrNO4/c1-18-7-9(15)4-5-14-12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyAEAFSMCHQKBCCI-UHFFFAOYSA-N
XLogP1.28
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097013
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
2-bromo-N-(3-hydroxy-4-methoxybutyl)-5-sulfanylbenzamide
CID 114163862
2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877038
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide
CID 106155756
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
CID 103877168
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
CID 103876983
3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium
CID 7188682
5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103719384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide (CID 103877758) is 5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide is COCC(O)CCNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
The InChIKey is AEAFSMCHQKBCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO4/c1-18-7-9(15)4-5-14-12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,15-16H,4-5,7H2,1H3,(H,14,17).
What are the key properties of 5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide has a molecular weight of 318.17 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide is sourced from PubChem (CID 103877758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).