2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide

C18H18Cl2N2O2 — CID 113161924

IUPAC2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-6-8-14(9-7-12)10-22(13(2)23)11-17(24)21-18-15(19)4-3-5-16(18)20/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyMPUPWZKVAAUUSR-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.29
Rot. Bonds5

About 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide

2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 113161924) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
PubChem CID113161924
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-6-8-14(9-7-12)10-22(13(2)23)11-17(24)21-18-15(19)4-3-5-16(18)20/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyMPUPWZKVAAUUSR-UHFFFAOYSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113161843
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide
CID 113161859
2-[acetyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113161143
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113162602
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113118703
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113161867
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113120713
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113161666
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 113001445

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide (CID 113161924) is 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide is CC(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C)cc1.
What is the InChIKey of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is MPUPWZKVAAUUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-12-6-8-14(9-7-12)10-22(13(2)23)11-17(24)21-18-15(19)4-3-5-16(18)20/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide?
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 365.26 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 113161924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).