3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide

C13H17BrFNO2 — CID 107300854

IUPAC3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H17BrFNO2/c1-16(7-3-2-4-8-17)13(18)10-5-6-12(15)11(14)9-10/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyGVTGBPKAUDETEZ-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.82
Rot. Bonds6

About 3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide

3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide (PubChem CID 107300854) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
PubChem CID107300854
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H17BrFNO2/c1-16(7-3-2-4-8-17)13(18)10-5-6-12(15)11(14)9-10/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyGVTGBPKAUDETEZ-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 103706992
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113339415
6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
CID 107199939
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
methyl 2-[(3-bromo-4-fluorobenzoyl)-methylamino]acetate
CID 103706657
N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide
CID 107951195
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202076

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide (CID 107300854) is 3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide is CN(CCCCCO)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The InChIKey is GVTGBPKAUDETEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-16(7-3-2-4-8-17)13(18)10-5-6-12(15)11(14)9-10/h5-6,9,17H,2-4,7-8H2,1H3.
What are the key properties of 3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide has a molecular weight of 318.19 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide is sourced from PubChem (CID 107300854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).