2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide

C15H14Br2N2O2 — CID 107598910

IUPAC2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2c(Br)cccc2Br)cc1
InChIInChI=1S/C15H14Br2N2O2/c1-21-11-7-5-10(6-8-11)19-14(20)9-18-15-12(16)3-2-4-13(15)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyWJDQFIJLDZVUCT-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.27
Rot. Bonds5

About 2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide

2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide (PubChem CID 107598910) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide
PubChem CID107598910
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2c(Br)cccc2Br)cc1
InChIInChI=1S/C15H14Br2N2O2/c1-21-11-7-5-10(6-8-11)19-14(20)9-18-15-12(16)3-2-4-13(15)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyWJDQFIJLDZVUCT-UHFFFAOYSA-N
XLogP4.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355
2-(2-bromo-6-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 103741858
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31760902

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide (CID 107598910) is 2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNc2c(Br)cccc2Br)cc1.
What is the InChIKey of 2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide?
The InChIKey is WJDQFIJLDZVUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-21-11-7-5-10(6-8-11)19-14(20)9-18-15-12(16)3-2-4-13(15)17/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide?
2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide has a molecular weight of 414.10 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 107598910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).