N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide

C13H17BrFNO2 — CID 113496506

IUPACN-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
SMILESCCCC(Br)CNC(=O)c1c(F)cccc1OC
InChIInChI=1S/C13H17BrFNO2/c1-3-5-9(14)8-16-13(17)12-10(15)6-4-7-11(12)18-2/h4,6-7,9H,3,5,8H2,1-2H3,(H,16,17)
InChIKeyAVAMUFFCHSKISH-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.13
Rot. Bonds6

About N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide

N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide (PubChem CID 113496506) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
PubChem CID113496506
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC NameN-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
SMILESCCCC(Br)CNC(=O)c1c(F)cccc1OC
InChIInChI=1S/C13H17BrFNO2/c1-3-5-9(14)8-16-13(17)12-10(15)6-4-7-11(12)18-2/h4,6-7,9H,3,5,8H2,1-2H3,(H,16,17)
InChIKeyAVAMUFFCHSKISH-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
CID 107016983
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
N-(2-hydroxypentyl)-2,6-dimethoxybenzamide
CID 115744628
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
N-(2-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107016981
N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
CID 106117950
N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
CID 65434428

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide (CID 113496506) is N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide is CCCC(Br)CNC(=O)c1c(F)cccc1OC.
What is the InChIKey of N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is AVAMUFFCHSKISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-3-5-9(14)8-16-13(17)12-10(15)6-4-7-11(12)18-2/h4,6-7,9H,3,5,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide?
N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 318.19 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 113496506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).