N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide

C15H10BrClN2O — CID 62907733

IUPACN-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide
SMILESN#CC(C(=O)Nc1cc(Br)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H10BrClN2O/c16-11-6-7-13(17)14(8-11)19-15(20)12(9-18)10-4-2-1-3-5-10/h1-8,12H,(H,19,20)
InChIKeyUIJUEIGRMWFISI-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.35
Rot. Bonds3

About N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide

N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide (PubChem CID 62907733) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide
PubChem CID62907733
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide
SMILESN#CC(C(=O)Nc1cc(Br)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H10BrClN2O/c16-11-6-7-13(17)14(8-11)19-15(20)12(9-18)10-4-2-1-3-5-10/h1-8,12H,(H,19,20)
InChIKeyUIJUEIGRMWFISI-UHFFFAOYSA-N
XLogP4.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide
CID 55132641
N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide
CID 62877359
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
CID 107574565
N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide
CID 107625909
N-(4-bromo-2-chlorophenyl)-2-chloro-2-phenylacetamide
CID 43236641
N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide
CID 63334572
2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 62878418
2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
CID 62876848
3-(4-bromo-2-methylphenyl)-3-oxo-2-phenylpropanenitrile
CID 43629950
N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
CID 62908416
2-(3-bromophenyl)-3-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 43560768

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide (CID 62907733) is N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide is N#CC(C(=O)Nc1cc(Br)ccc1Cl)c1ccccc1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide?
The InChIKey is UIJUEIGRMWFISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-11-6-7-13(17)14(8-11)19-15(20)12(9-18)10-4-2-1-3-5-10/h1-8,12H,(H,19,20).
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide?
N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide has a molecular weight of 349.62 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide is sourced from PubChem (CID 62907733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).