N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide

C13H17BrFNO2 — CID 107206223

IUPACN-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(CCCCCBr)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H17BrFNO2/c1-16(8-4-2-3-7-14)13(18)11-9-10(15)5-6-12(11)17/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyMJYPPKIPSFFHHB-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.17
Rot. Bonds6

About N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide

N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide (PubChem CID 107206223) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
PubChem CID107206223
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC NameN-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(CCCCCBr)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H17BrFNO2/c1-16(8-4-2-3-7-14)13(18)11-9-10(15)5-6-12(11)17/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyMJYPPKIPSFFHHB-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
N-(5-bromopentyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732751
N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 106441252
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556
N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732592
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
CID 107206197
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 107206107

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide (CID 107206223) is N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide is CN(CCCCCBr)C(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The InChIKey is MJYPPKIPSFFHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-16(8-4-2-3-7-14)13(18)11-9-10(15)5-6-12(11)17/h5-6,9,17H,2-4,7-8H2,1H3.
What are the key properties of N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide has a molecular weight of 318.19 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107206223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).