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

C17H19ClN2O — CID 2442790

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-13-3-9-16(10-4-13)19-17(21)12-20(2)11-14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyJXKDAUMMUOAWPD-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.72
Rot. Bonds5

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

2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 2442790) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID2442790
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-13-3-9-16(10-4-13)19-17(21)12-20(2)11-14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyJXKDAUMMUOAWPD-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide (CID 2442790) is 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is JXKDAUMMUOAWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-3-9-16(10-4-13)19-17(21)12-20(2)11-14-5-7-15(18)8-6-14/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2442790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).