N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide

C11H12BrF2NO2 — CID 114310126

IUPACN-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide
SMILESCOCC(Br)CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H12BrF2NO2/c1-17-6-7(12)5-15-11(16)9-4-8(13)2-3-10(9)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyWKWXLLGSROAHAY-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.10
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide

N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide (PubChem CID 114310126) has the molecular formula C11H12BrF2NO2 and a molecular weight of 308.12 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide
PubChem CID114310126
Molecular FormulaC11H12BrF2NO2
Molecular Weight308.12 g/mol
Exact Mass307.00
IUPAC NameN-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide
SMILESCOCC(Br)CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H12BrF2NO2/c1-17-6-7(12)5-15-11(16)9-4-8(13)2-3-10(9)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyWKWXLLGSROAHAY-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.10
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-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
CID 114163031
N-(3-bromo-4-methoxybutyl)-5-fluoro-2-methylbenzamide
CID 106244956
2-bromo-N-(3-bromo-4-methoxybutyl)-5-fluorobenzamide
CID 114163364
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide
CID 114309984
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248488
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
N-(2-bromo-3-methoxypropyl)-4-ethylbenzamide
CID 114309833
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044
2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
CID 26687345
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide (CID 114310126) is N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide is COCC(Br)CNC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide?
The InChIKey is WKWXLLGSROAHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO2/c1-17-6-7(12)5-15-11(16)9-4-8(13)2-3-10(9)14/h2-4,7H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide?
N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide has a molecular weight of 308.12 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide is sourced from PubChem (CID 114310126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).