N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide

C11H11ClN2O — CID 168523333

IUPACN-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
SMILESCc1cc(NC(=O)CC#N)cc(C)c1Cl
InChIInChI=1S/C11H11ClN2O/c1-7-5-9(6-8(2)11(7)12)14-10(15)3-4-13/h5-6H,3H2,1-2H3,(H,14,15)
InChIKeyGDFVAJSUQLSOJD-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.81
Rot. Bonds2

About N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide

N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide (PubChem CID 168523333) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
PubChem CID168523333
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC NameN-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
SMILESCc1cc(NC(=O)CC#N)cc(C)c1Cl
InChIInChI=1S/C11H11ClN2O/c1-7-5-9(6-8(2)11(7)12)14-10(15)3-4-13/h5-6H,3H2,1-2H3,(H,14,15)
InChIKeyGDFVAJSUQLSOJD-UHFFFAOYSA-N
XLogP2.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922706
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
2-cyano-N-(2-methylpyrimidin-5-yl)acetamide
CID 130643403
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N-[4-[(2-cyanoacetyl)amino]-2-methylphenyl]butanamide
CID 168522119
4-[(2-cyanoacetyl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 168521355
2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
CID 168521532
2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide
CID 168524089
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide?
The IUPAC name of N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide (CID 168523333) is N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide?
The canonical SMILES for N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide is Cc1cc(NC(=O)CC#N)cc(C)c1Cl.
What is the InChIKey of N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide?
The InChIKey is GDFVAJSUQLSOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-5-9(6-8(2)11(7)12)14-10(15)3-4-13/h5-6H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide?
N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide has a molecular weight of 222.67 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide is sourced from PubChem (CID 168523333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).