2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide

C23H20Cl2N2O — CID 160825317

IUPAC2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide
SMILESCN(C)C(=O)C(c1ccccc1)c1ccccc1.N#Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17NO.C7H3Cl2N/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;8-6-2-1-3-7(9)5(6)4-10/h3-12,15H,1-2H3;1-3H
InChIKeySGBSSLGRDPQTFL-UHFFFAOYSA-N
MW411.33 g/mol
LogP5.77
Rot. Bonds3

About 2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide

2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide (PubChem CID 160825317) has the molecular formula C23H20Cl2N2O and a molecular weight of 411.33 g/mol. Its IUPAC name is 2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide.

Molecular Properties

Compound Name2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide
PubChem CID160825317
Molecular FormulaC23H20Cl2N2O
Molecular Weight411.33 g/mol
Exact Mass410.10
IUPAC Name2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide
SMILESCN(C)C(=O)C(c1ccccc1)c1ccccc1.N#Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17NO.C7H3Cl2N/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;8-6-2-1-3-7(9)5(6)4-10/h3-12,15H,1-2H3;1-3H
InChIKeySGBSSLGRDPQTFL-UHFFFAOYSA-N
XLogP5.77
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.33
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide?
The IUPAC name of 2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide (CID 160825317) is 2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide.
What is the SMILES notation for 2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide?
The canonical SMILES for 2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide is CN(C)C(=O)C(c1ccccc1)c1ccccc1.N#Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide?
The InChIKey is SGBSSLGRDPQTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C7H3Cl2N/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;8-6-2-1-3-7(9)5(6)4-10/h3-12,15H,1-2H3;1-3H.
What are the key properties of 2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide?
2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide has a molecular weight of 411.33 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide is sourced from PubChem (CID 160825317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).