2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide

C15H13Br2FN2O — CID 28991479

IUPAC2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(Br)c(NCC(=O)Nc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H13Br2FN2O/c1-9-6-12(16)15(13(17)7-9)19-8-14(21)20-11-4-2-10(18)3-5-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyWNGGHNUZCNFNAQ-UHFFFAOYSA-N
MW416.09 g/mol
LogP4.71
Rot. Bonds4

About 2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide

2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 28991479) has the molecular formula C15H13Br2FN2O and a molecular weight of 416.09 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID28991479
Molecular FormulaC15H13Br2FN2O
Molecular Weight416.09 g/mol
Exact Mass413.94
IUPAC Name2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(Br)c(NCC(=O)Nc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H13Br2FN2O/c1-9-6-12(16)15(13(17)7-9)19-8-14(21)20-11-4-2-10(18)3-5-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyWNGGHNUZCNFNAQ-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.09
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide
CID 28887968
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 9098661
2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107592105
2-(2-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 28939365
N-(4-fluorophenyl)-2-(2,4,6-trichloroanilino)acetamide
CID 28992739
2-(2-bromo-6-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 103741858
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
2-(2,6-dichloroanilino)-N-(4-fluorophenyl)acetamide
CID 65469582
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
N-(4-bromophenyl)-2-(2-chloro-4,6-difluoroanilino)acetamide
CID 83073071
2-(3-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 115650334

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide (CID 28991479) is 2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide is Cc1cc(Br)c(NCC(=O)Nc2ccc(F)cc2)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is WNGGHNUZCNFNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FN2O/c1-9-6-12(16)15(13(17)7-9)19-8-14(21)20-11-4-2-10(18)3-5-11/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide?
2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 416.09 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 28991479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).