N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide

C17H15BrN2O — CID 107574565

IUPACN-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
SMILESCc1cc(NC(=O)C(C#N)c2ccccc2)cc(C)c1Br
InChIInChI=1S/C17H15BrN2O/c1-11-8-14(9-12(2)16(11)18)20-17(21)15(10-19)13-6-4-3-5-7-13/h3-9,15H,1-2H3,(H,20,21)
InChIKeyDLGBIXIVGFWHMP-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.31
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide

N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide (PubChem CID 107574565) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
PubChem CID107574565
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
SMILESCc1cc(NC(=O)C(C#N)c2ccccc2)cc(C)c1Br
InChIInChI=1S/C17H15BrN2O/c1-11-8-14(9-12(2)16(11)18)20-17(21)15(10-19)13-6-4-3-5-7-13/h3-9,15H,1-2H3,(H,20,21)
InChIKeyDLGBIXIVGFWHMP-UHFFFAOYSA-N
XLogP4.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide
CID 63334572
N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide
CID 107625909
N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide
CID 62907733
2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide
CID 107588694
2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 55128778
2-cyano-N-(3-ethynylphenyl)-2-phenylacetamide
CID 62877869
2-cyano-N-(3-nitrophenyl)-2-phenylacetamide
CID 62877185
N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide
CID 107805412
2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
CID 62876848
2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide
CID 114387927
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide (CID 107574565) is N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide is Cc1cc(NC(=O)C(C#N)c2ccccc2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide?
The InChIKey is DLGBIXIVGFWHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11-8-14(9-12(2)16(11)18)20-17(21)15(10-19)13-6-4-3-5-7-13/h3-9,15H,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide?
N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide has a molecular weight of 343.22 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide is sourced from PubChem (CID 107574565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).