2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide

C14H11Br2FN2O — CID 9080342

IUPAC2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
SMILESO=C(CNc1cccc(Br)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H11Br2FN2O/c15-9-2-1-3-11(6-9)18-8-14(20)19-13-5-4-10(16)7-12(13)17/h1-7,18H,8H2,(H,19,20)
InChIKeyKEPLKUYUDFONPO-UHFFFAOYSA-N
MW402.06 g/mol
LogP4.40
Rot. Bonds4

About 2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide

2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide (PubChem CID 9080342) has the molecular formula C14H11Br2FN2O and a molecular weight of 402.06 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
PubChem CID9080342
Molecular FormulaC14H11Br2FN2O
Molecular Weight402.06 g/mol
Exact Mass399.92
IUPAC Name2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
SMILESO=C(CNc1cccc(Br)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H11Br2FN2O/c15-9-2-1-3-11(6-9)18-8-14(20)19-13-5-4-10(16)7-12(13)17/h1-7,18H,8H2,(H,19,20)
InChIKeyKEPLKUYUDFONPO-UHFFFAOYSA-N
XLogP4.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112812607
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
2-(3-acetamido-2-methylanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 34067793
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide
CID 103585627
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
2-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840155
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
2-(3-bromoanilino)-N-(2-phenylphenyl)acetamide
CID 9080400
methyl 3-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 36586894
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
CID 26416177

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide (CID 9080342) is 2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide is O=C(CNc1cccc(Br)c1)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide?
The InChIKey is KEPLKUYUDFONPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2O/c15-9-2-1-3-11(6-9)18-8-14(20)19-13-5-4-10(16)7-12(13)17/h1-7,18H,8H2,(H,19,20).
What are the key properties of 2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide?
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide has a molecular weight of 402.06 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 9080342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).