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

C17H15Cl2N3O — CID 2699365

IUPACN-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N3O/c1-22(10-13-4-5-14(18)8-16(13)19)11-17(23)21-15-6-2-12(9-20)3-7-15/h2-8H,10-11H2,1H3,(H,21,23)
InChIKeyXKQCKJXPQQUTFS-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.94
Rot. Bonds5

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

N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide (PubChem CID 2699365) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
PubChem CID2699365
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC NameN-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N3O/c1-22(10-13-4-5-14(18)8-16(13)19)11-17(23)21-15-6-2-12(9-20)3-7-15/h2-8H,10-11H2,1H3,(H,21,23)
InChIKeyXKQCKJXPQQUTFS-UHFFFAOYSA-N
XLogP3.94
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 18131356
N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 113156893
2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9196861
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592972
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 102665414
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9196918
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 102665596
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
N-(4-chlorophenyl)-2-[(3-cyanophenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401819
2-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17423821
N-(5-chloro-2-methoxyphenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
CID 33083968

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide (CID 2699365) is N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide?
The InChIKey is XKQCKJXPQQUTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-22(10-13-4-5-14(18)8-16(13)19)11-17(23)21-15-6-2-12(9-20)3-7-15/h2-8H,10-11H2,1H3,(H,21,23).
What are the key properties of N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide?
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide has a molecular weight of 348.23 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2699365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).