N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

C20H20Br2N2O — CID 2121356

IUPACN-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCc1cc(Br)c(NC(=O)CN2CC=C(c3ccccc3)CC2)c(Br)c1
InChIInChI=1S/C20H20Br2N2O/c1-14-11-17(21)20(18(22)12-14)23-19(25)13-24-9-7-16(8-10-24)15-5-3-2-4-6-15/h2-7,11-12H,8-10,13H2,1H3,(H,23,25)
InChIKeyGZVUUGJNOOWHTH-UHFFFAOYSA-N
MW464.20 g/mol
LogP5.25
Rot. Bonds4

About N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 2121356) has the molecular formula C20H20Br2N2O and a molecular weight of 464.20 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID2121356
Molecular FormulaC20H20Br2N2O
Molecular Weight464.20 g/mol
Exact Mass461.99
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCc1cc(Br)c(NC(=O)CN2CC=C(c3ccccc3)CC2)c(Br)c1
InChIInChI=1S/C20H20Br2N2O/c1-14-11-17(21)20(18(22)12-14)23-19(25)13-24-9-7-16(8-10-24)15-5-3-2-4-6-15/h2-7,11-12H,8-10,13H2,1H3,(H,23,25)
InChIKeyGZVUUGJNOOWHTH-UHFFFAOYSA-N
XLogP5.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.20
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Bromo-phenyl)-2-(3,4-dimethyl-phenylamino)-acetamide
CID 832423
2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 856355
N-(2,6-dibromo-4-methylphenyl)-2-pyrrolidinylacetamide
CID 981096
2-(4-benzylpiperazin-1-yl)-N-(3-bromophenyl)acetamide
CID 2091118
N-(2-bromo-4-methylphenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 2125655
N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2699491
N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 2699969
2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide
CID 4781133
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 4879719
2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 8533654
5-(3-Bromophenyl)-1-(3-methylphenyl)-3-[(3-methylphenyl)amino]-2,5-dihydro-1H-pyrrol-2-one
CID 15991306
N-(3-bromo-4-methylphenyl)-2-[cyclohexyl(methyl)amino]acetamide;hydrochloride
CID 16192783

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 2121356) is N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is Cc1cc(Br)c(NC(=O)CN2CC=C(c3ccccc3)CC2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is GZVUUGJNOOWHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Br2N2O/c1-14-11-17(21)20(18(22)12-14)23-19(25)13-24-9-7-16(8-10-24)15-5-3-2-4-6-15/h2-7,11-12H,8-10,13H2,1H3,(H,23,25).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 464.20 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 2121356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).