2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide

C15H14Br2N2O — CID 28887968

IUPAC2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide
SMILESCc1cc(Br)c(NCC(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C15H14Br2N2O/c1-10-7-12(16)15(13(17)8-10)18-9-14(20)19-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyXPJDSUKVCQPZMV-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.57
Rot. Bonds4

About 2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide

2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide (PubChem CID 28887968) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide
PubChem CID28887968
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide
SMILESCc1cc(Br)c(NCC(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C15H14Br2N2O/c1-10-7-12(16)15(13(17)8-10)18-9-14(20)19-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyXPJDSUKVCQPZMV-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 28991479
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
CID 50988159
N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide
CID 43126391
2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide
CID 107573643
2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
CID 28991483
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
2-(2,6-dibromoanilino)-N-(4-methoxyphenyl)acetamide
CID 107598910
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
2-(2-bromo-6-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 103741858
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide?
The IUPAC name of 2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide (CID 28887968) is 2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide is Cc1cc(Br)c(NCC(=O)Nc2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide?
The InChIKey is XPJDSUKVCQPZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-10-7-12(16)15(13(17)8-10)18-9-14(20)19-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide?
2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide has a molecular weight of 398.10 g/mol, XLogP of 4.57, 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-phenylacetamide is sourced from PubChem (CID 28887968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).