2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide

C18H18Cl2N2O2 — CID 113162790

IUPAC2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-3-8-16(9-17(12)20)21-18(24)11-22(13(2)23)10-14-4-6-15(19)7-5-14/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyQYRRLYTXNSDLQG-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.29
Rot. Bonds5

About 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 113162790) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID113162790
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-3-8-16(9-17(12)20)21-18(24)11-22(13(2)23)10-14-4-6-15(19)7-5-14/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyQYRRLYTXNSDLQG-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-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113163297
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113118831
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113161867
2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113166573
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide
CID 113161859
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113162820
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113163940
N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide (CID 113162790) is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is QYRRLYTXNSDLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-12-3-8-16(9-17(12)20)21-18(24)11-22(13(2)23)10-14-4-6-15(19)7-5-14/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide?
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)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-chlorophenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 113162790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).