4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide

C9H8BrF2NO2 — CID 171366673

IUPAC4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(Br)c(F)c1F
InChIInChI=1S/C9H8BrF2NO2/c1-13(15-2)9(14)5-3-4-6(10)8(12)7(5)11/h3-4H,1-2H3
InChIKeyBURFEVVOHSFQKQ-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.36
Rot. Bonds2

About 4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide

4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide (PubChem CID 171366673) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide
PubChem CID171366673
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Name4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(Br)c(F)c1F
InChIInChI=1S/C9H8BrF2NO2/c1-13(15-2)9(14)5-3-4-6(10)8(12)7(5)11/h3-4H,1-2H3
InChIKeyBURFEVVOHSFQKQ-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
2-amino-4-fluoro-N-methoxy-N-methylbenzamide
CID 63110530
1-(4-bromo-2,3-difluorophenyl)propan-1-one
CID 174816220
2-bromo-N,4,5-trimethoxy-N-methylbenzamide
CID 90127344
4-bromo-N-methoxy-N,2,5-trimethylbenzamide
CID 123460356
3-(3-bromo-2-fluorophenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide
CID 87563283
2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide
CID 146287487
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 86666725

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide (CID 171366673) is 4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(Br)c(F)c1F.
What is the InChIKey of 4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide?
The InChIKey is BURFEVVOHSFQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-13(15-2)9(14)5-3-4-6(10)8(12)7(5)11/h3-4H,1-2H3.
What are the key properties of 4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide?
4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide has a molecular weight of 280.07 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 171366673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).