2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide

C17H16ClN3O — CID 2698824

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c1-21(11-14-2-6-15(18)7-3-14)12-17(22)20-16-8-4-13(10-19)5-9-16/h2-9H,11-12H2,1H3,(H,20,22)
InChIKeyULIDIDGRGCXWIO-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.28
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide

2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide (PubChem CID 2698824) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide
PubChem CID2698824
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c1-21(11-14-2-6-15(18)7-3-14)12-17(22)20-16-8-4-13(10-19)5-9-16/h2-9H,11-12H2,1H3,(H,20,22)
InChIKeyULIDIDGRGCXWIO-UHFFFAOYSA-N
XLogP3.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide (CID 2698824) is 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide is CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide?
The InChIKey is ULIDIDGRGCXWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-21(11-14-2-6-15(18)7-3-14)12-17(22)20-16-8-4-13(10-19)5-9-16/h2-9H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide has a molecular weight of 313.79 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 2698824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).