N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide

C9H8BrFN2O3 — CID 99636400

IUPACN-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide
SMILESCONC(=O)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C9H8BrFN2O3/c1-16-13-9(15)8(14)12-7-4-5(10)2-3-6(7)11/h2-4H,1H3,(H,12,14)(H,13,15)
InChIKeyCXPKSAAFVRYGAE-UHFFFAOYSA-N
MW291.08 g/mol
LogP1.20
Rot. Bonds2

About N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide

N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide (PubChem CID 99636400) has the molecular formula C9H8BrFN2O3 and a molecular weight of 291.08 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide
PubChem CID99636400
Molecular FormulaC9H8BrFN2O3
Molecular Weight291.08 g/mol
Exact Mass289.97
IUPAC NameN-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide
SMILESCONC(=O)C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C9H8BrFN2O3/c1-16-13-9(15)8(14)12-7-4-5(10)2-3-6(7)11/h2-4H,1H3,(H,12,14)(H,13,15)
InChIKeyCXPKSAAFVRYGAE-UHFFFAOYSA-N
XLogP1.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.08
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromo-2-fluoroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991537
methyl 2-[(5-bromo-2-fluorophenyl)carbamoyl]-3-methylbutanoate
CID 115188007
2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
CID 81082239
N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide
CID 63939054
methyl 2-(5-chloro-2-fluoroanilino)-2-oxoacetate
CID 112616665
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
3-amino-N-(5-bromo-2-fluorophenyl)-3-sulfanylidenepropanamide
CID 43555865
methyl 3-(5-bromo-2-fluoroanilino)-2-methylbutanoate
CID 79391097
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633
ethyl 4-(5-bromo-2-fluoroanilino)-4-oxobutanoate
CID 63938681
2-amino-3-(5-bromo-2-fluoroanilino)-3-oxopropanoic acid
CID 115179141

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide (CID 99636400) is N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide is CONC(=O)C(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide?
The InChIKey is CXPKSAAFVRYGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O3/c1-16-13-9(15)8(14)12-7-4-5(10)2-3-6(7)11/h2-4H,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide?
N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide has a molecular weight of 291.08 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-N'-methoxyoxamide is sourced from PubChem (CID 99636400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).