5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide

C12H15BrClNO3 — CID 106155756

IUPAC5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide
SMILESCOCC(CCCl)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H15BrClNO3/c1-18-7-9(4-5-14)15-12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyXEFDCDQRMQDDAY-UHFFFAOYSA-N
MW336.61 g/mol
LogP2.53
Rot. Bonds6

About 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide

5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide (PubChem CID 106155756) has the molecular formula C12H15BrClNO3 and a molecular weight of 336.61 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide
PubChem CID106155756
Molecular FormulaC12H15BrClNO3
Molecular Weight336.61 g/mol
Exact Mass334.99
IUPAC Name5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide
SMILESCOCC(CCCl)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H15BrClNO3/c1-18-7-9(4-5-14)15-12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyXEFDCDQRMQDDAY-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106182630
N-(4-chloro-1-methoxybutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 114151231
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
N-(4-chloro-1-methoxybutan-2-yl)-3-hydroxy-4-iodobenzamide
CID 106155621
N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 106156181
5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103877758
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide
CID 114155070
5-bromo-N-(1-methoxybutan-2-yl)-2-methylbenzamide
CID 65311170
N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 114150752
N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide (CID 106155756) is 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide is COCC(CCCl)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide?
The InChIKey is XEFDCDQRMQDDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3/c1-18-7-9(4-5-14)15-12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide?
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide has a molecular weight of 336.61 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 106155756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).