2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide

C17H16Cl2N2O2 — CID 113162786

IUPAC2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-12(22)21(10-13-2-4-14(18)5-3-13)11-17(23)20-16-8-6-15(19)7-9-16/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyLLIAEJUNEPEKSG-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.98
Rot. Bonds5

About 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide (PubChem CID 113162786) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
PubChem CID113162786
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-12(22)21(10-13-2-4-14(18)5-3-13)11-17(23)20-16-8-6-15(19)7-9-16/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyLLIAEJUNEPEKSG-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113162790
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113162820
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113162680
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide
CID 113162771
2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide
CID 113161859
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide
CID 113162681
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 113163104
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide (CID 113162786) is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide?
The InChIKey is LLIAEJUNEPEKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-12(22)21(10-13-2-4-14(18)5-3-13)11-17(23)20-16-8-6-15(19)7-9-16/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide?
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide has a molecular weight of 351.23 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113162786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).