2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide

C10H5Cl2N3O — CID 168524089

IUPAC2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide
SMILESN#CCC(=O)Nc1c(Cl)cc(C#N)cc1Cl
InChIInChI=1S/C10H5Cl2N3O/c11-7-3-6(5-14)4-8(12)10(7)15-9(16)1-2-13/h3-4H,1H2,(H,15,16)
InChIKeyBQBVQRLNOKWVRA-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.72
Rot. Bonds2

About 2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide

2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide (PubChem CID 168524089) has the molecular formula C10H5Cl2N3O and a molecular weight of 254.08 g/mol. Its IUPAC name is 2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide
PubChem CID168524089
Molecular FormulaC10H5Cl2N3O
Molecular Weight254.08 g/mol
Exact Mass252.98
IUPAC Name2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide
SMILESN#CCC(=O)Nc1c(Cl)cc(C#N)cc1Cl
InChIInChI=1S/C10H5Cl2N3O/c11-7-3-6(5-14)4-8(12)10(7)15-9(16)1-2-13/h3-4H,1H2,(H,15,16)
InChIKeyBQBVQRLNOKWVRA-UHFFFAOYSA-N
XLogP2.72
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide
CID 168521788
2-cyano-N-(2,4-dichloro-6-nitrophenyl)acetamide
CID 168520258
2-cyano-N-[2,3,6-trichloro-4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 168522275
N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide
CID 168523742
N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
CID 168523333
N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide
CID 168521570
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide
CID 168521011
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
CID 168521532

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide (CID 168524089) is 2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide is N#CCC(=O)Nc1c(Cl)cc(C#N)cc1Cl.
What is the InChIKey of 2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide?
The InChIKey is BQBVQRLNOKWVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O/c11-7-3-6(5-14)4-8(12)10(7)15-9(16)1-2-13/h3-4H,1H2,(H,15,16).
What are the key properties of 2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide?
2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide has a molecular weight of 254.08 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 168524089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).