2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide

C13H17BrF2N2O — CID 102847113

IUPAC2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1cc(Br)c(F)cc1F
InChIInChI=1S/C13H17BrF2N2O/c1-7(2)8(3)18-13(19)6-17-12-4-9(14)10(15)5-11(12)16/h4-5,7-8,17H,6H2,1-3H3,(H,18,19)
InChIKeyYNVFEZUPLKLTEQ-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.30
Rot. Bonds5

About 2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide

2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 102847113) has the molecular formula C13H17BrF2N2O and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide
PubChem CID102847113
Molecular FormulaC13H17BrF2N2O
Molecular Weight335.19 g/mol
Exact Mass334.05
IUPAC Name2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1cc(Br)c(F)cc1F
InChIInChI=1S/C13H17BrF2N2O/c1-7(2)8(3)18-13(19)6-17-12-4-9(14)10(15)5-11(12)16/h4-5,7-8,17H,6H2,1-3H3,(H,18,19)
InChIKeyYNVFEZUPLKLTEQ-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 102847112
methyl 2,4-difluoro-5-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 78862242
2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide
CID 103843112
2-(2-amino-5-bromo-4-fluoroanilino)-N-propan-2-ylacetamide
CID 116735525
2-amino-3-(5-bromo-2,4-difluoroanilino)propanamide
CID 103268919
methyl 4-fluoro-3-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 86930911
2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
CID 103843113
2-(5-bromo-2,4-difluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 102853568
2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103238726
(2S)-3-(5-bromo-2,4-difluoroanilino)propane-1,2-diol
CID 102853500
5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
CID 102853196
5-bromo-2,4-difluoro-N-(2-methylpentyl)aniline
CID 102852837

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide (CID 102847113) is 2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNc1cc(Br)c(F)cc1F.
What is the InChIKey of 2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is YNVFEZUPLKLTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2O/c1-7(2)8(3)18-13(19)6-17-12-4-9(14)10(15)5-11(12)16/h4-5,7-8,17H,6H2,1-3H3,(H,18,19).
What are the key properties of 2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide?
2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 335.19 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 102847113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).