2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide

C13H17BrFNO2 — CID 71977759

IUPAC2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H17BrFNO2/c1-9(2)18-8-4-7-16-13(17)12-10(14)5-3-6-11(12)15/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyVXALZKFMVYOCGW-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.13
Rot. Bonds6

About 2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide

2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 71977759) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID71977759
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H17BrFNO2/c1-9(2)18-8-4-7-16-13(17)12-10(14)5-3-6-11(12)15/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyVXALZKFMVYOCGW-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
2-bromo-6-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 115679118
2-bromo-6-fluoro-N-(3-methylsulfinylpropyl)benzamide
CID 115679027
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122
2-bromo-N-[2-(ethylamino)ethyl]-6-fluorobenzamide;hydrochloride
CID 119509128
2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
CID 115678208
N-(4-bromopentyl)-2,6-difluorobenzamide
CID 106130576

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide (CID 71977759) is 2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is VXALZKFMVYOCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-9(2)18-8-4-7-16-13(17)12-10(14)5-3-6-11(12)15/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide?
2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide 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 2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 71977759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).