2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide

C12H15BrFN3O3 — CID 42125979

IUPAC2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFN3O3/c1-20-5-4-15-12(19)17-11(18)7-16-10-3-2-8(13)6-9(10)14/h2-3,6,16H,4-5,7H2,1H3,(H2,15,17,18,19)
InChIKeySMMDBUBGSUSPHG-UHFFFAOYSA-N
MW348.17 g/mol
LogP1.47
Rot. Bonds6

About 2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide

2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 42125979) has the molecular formula C12H15BrFN3O3 and a molecular weight of 348.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID42125979
Molecular FormulaC12H15BrFN3O3
Molecular Weight348.17 g/mol
Exact Mass347.03
IUPAC Name2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFN3O3/c1-20-5-4-15-12(19)17-11(18)7-16-10-3-2-8(13)6-9(10)14/h2-3,6,16H,4-5,7H2,1H3,(H2,15,17,18,19)
InChIKeySMMDBUBGSUSPHG-UHFFFAOYSA-N
XLogP1.47
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186
2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 51252744
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 7995383
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 37480115
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 18271470
2-(4-bromo-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688294
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 113219434
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide (CID 42125979) is 2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CNc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is SMMDBUBGSUSPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3O3/c1-20-5-4-15-12(19)17-11(18)7-16-10-3-2-8(13)6-9(10)14/h2-3,6,16H,4-5,7H2,1H3,(H2,15,17,18,19).
What are the key properties of 2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 348.17 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoroanilino)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 42125979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).