N-[cyano-(2,4-dichlorophenyl)methyl]acetamide

C10H8Cl2N2O — CID 83543201

IUPACN-[cyano-(2,4-dichlorophenyl)methyl]acetamide
SMILESCC(=O)NC(C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-6(15)14-10(5-13)8-3-2-7(11)4-9(8)12/h2-4,10H,1H3,(H,14,15)
InChIKeyIRZIGKUITADDJR-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.69
Rot. Bonds2

About N-[cyano-(2,4-dichlorophenyl)methyl]acetamide

N-[cyano-(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 83543201) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is N-[cyano-(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[cyano-(2,4-dichlorophenyl)methyl]acetamide
PubChem CID83543201
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC NameN-[cyano-(2,4-dichlorophenyl)methyl]acetamide
SMILESCC(=O)NC(C#N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-6(15)14-10(5-13)8-3-2-7(11)4-9(8)12/h2-4,10H,1H3,(H,14,15)
InChIKeyIRZIGKUITADDJR-UHFFFAOYSA-N
XLogP2.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[cyano-(2,4-dichlorophenyl)methyl]urea
CID 110192031
2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid
CID 92982599
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 43151713
2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetonitrile
CID 82020101
N-[(2,4-dichlorophenyl)-(2-hydroxyphenyl)methyl]acetamide
CID 102367056
2-(butylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 82020095
2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886457
2-(2,4-dichlorophenyl)-5-methyl-3-oxohexanenitrile
CID 13374432
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
2-(2,4-dichlorophenyl)-3-oxo-4-propylheptanenitrile
CID 82985528

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of N-[cyano-(2,4-dichlorophenyl)methyl]acetamide (CID 83543201) is N-[cyano-(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for N-[cyano-(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for N-[cyano-(2,4-dichlorophenyl)methyl]acetamide is CC(=O)NC(C#N)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[cyano-(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is IRZIGKUITADDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-6(15)14-10(5-13)8-3-2-7(11)4-9(8)12/h2-4,10H,1H3,(H,14,15).
What are the key properties of N-[cyano-(2,4-dichlorophenyl)methyl]acetamide?
N-[cyano-(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 243.09 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 83543201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).