2,5-dibromo-N-(4-hydroxypentyl)benzamide

C12H15Br2NO2 — CID 107300307

IUPAC2,5-dibromo-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H15Br2NO2/c1-8(16)3-2-6-15-12(17)10-7-9(13)4-5-11(10)14/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyXDYXEANYNWJSKX-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.10
Rot. Bonds5

About 2,5-dibromo-N-(4-hydroxypentyl)benzamide

2,5-dibromo-N-(4-hydroxypentyl)benzamide (PubChem CID 107300307) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-hydroxypentyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-hydroxypentyl)benzamide
PubChem CID107300307
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name2,5-dibromo-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H15Br2NO2/c1-8(16)3-2-6-15-12(17)10-7-9(13)4-5-11(10)14/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyXDYXEANYNWJSKX-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952
4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
CID 107300567
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 114372816
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
4-bromo-N-(4-chloropentyl)-2-methylbenzamide
CID 106129866
N-(4-hydroxypentyl)-2-sulfanylbenzamide
CID 106137767
methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate
CID 104920530
2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 104920678
4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide
CID 111433738

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-hydroxypentyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(4-hydroxypentyl)benzamide (CID 107300307) is 2,5-dibromo-N-(4-hydroxypentyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(4-hydroxypentyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(4-hydroxypentyl)benzamide is CC(O)CCCNC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-hydroxypentyl)benzamide?
The InChIKey is XDYXEANYNWJSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-8(16)3-2-6-15-12(17)10-7-9(13)4-5-11(10)14/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 2,5-dibromo-N-(4-hydroxypentyl)benzamide?
2,5-dibromo-N-(4-hydroxypentyl)benzamide has a molecular weight of 365.07 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-hydroxypentyl)benzamide is sourced from PubChem (CID 107300307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).