N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide

C11H12BrF2NO2 — CID 106183792

IUPACN-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide
SMILESCOCC(CBr)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C11H12BrF2NO2/c1-17-6-7(5-12)15-11(16)8-3-2-4-9(13)10(8)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyRMQARGPRFCNROW-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.10
Rot. Bonds5

About N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide

N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide (PubChem CID 106183792) has the molecular formula C11H12BrF2NO2 and a molecular weight of 308.12 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide
PubChem CID106183792
Molecular FormulaC11H12BrF2NO2
Molecular Weight308.12 g/mol
Exact Mass307.00
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide
SMILESCOCC(CBr)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C11H12BrF2NO2/c1-17-6-7(5-12)15-11(16)8-3-2-4-9(13)10(8)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyRMQARGPRFCNROW-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-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106180175
N-(1-bromo-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106183783
N-(1-bromo-3-methoxypropan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 106184198
N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
CID 106184915
N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 106184021
2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide
CID 79885627
N-(1-bromo-4-methoxybutan-2-yl)-2,3-dihydroxybenzamide
CID 114211990
4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide
CID 114155269
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(1-bromo-3-methoxypropan-2-yl)-4-chloro-2-methylbenzamide
CID 106184919
N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
CID 106183814
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide (CID 106183792) is N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide is COCC(CBr)NC(=O)c1cccc(F)c1F.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide?
The InChIKey is RMQARGPRFCNROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO2/c1-17-6-7(5-12)15-11(16)8-3-2-4-9(13)10(8)14/h2-4,7H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide?
N-(1-bromo-3-methoxypropan-2-yl)-2,3-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-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide is sourced from PubChem (CID 106183792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).