4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide

C13H18BrNO3 — CID 107300567

IUPAC4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCCC(C)O
InChIInChI=1S/C13H18BrNO3/c1-9(16)4-3-7-15-13(17)11-6-5-10(14)8-12(11)18-2/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyGUTXWBUSNCYXCT-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.35
Rot. Bonds6

About 4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide

4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide (PubChem CID 107300567) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
PubChem CID107300567
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCCC(C)O
InChIInChI=1S/C13H18BrNO3/c1-9(16)4-3-7-15-13(17)11-6-5-10(14)8-12(11)18-2/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyGUTXWBUSNCYXCT-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
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4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide
CID 111433738
4-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzamide
CID 78994367
4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide
CID 78987502
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-2-methoxybenzamide
CID 113268416
4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide
CID 107157714
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 83121333
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346
2-[2-[(4-bromo-2-methoxybenzoyl)amino]ethoxy]acetic acid
CID 113295972
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide (CID 107300567) is 4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NCCCC(C)O.
What is the InChIKey of 4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide?
The InChIKey is GUTXWBUSNCYXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-9(16)4-3-7-15-13(17)11-6-5-10(14)8-12(11)18-2/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide?
4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide has a molecular weight of 316.19 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide is sourced from PubChem (CID 107300567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).