2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide

C22H21ClN2O — CID 2457136

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O/c1-25(15-18-11-5-7-13-20(18)23)16-22(26)24-21-14-8-6-12-19(21)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyBMIAAHIXVVLKKX-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.08
Rot. Bonds6

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

2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide (PubChem CID 2457136) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide
PubChem CID2457136
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O/c1-25(15-18-11-5-7-13-20(18)23)16-22(26)24-21-14-8-6-12-19(21)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyBMIAAHIXVVLKKX-UHFFFAOYSA-N
XLogP5.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide (CID 2457136) is 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide is CN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide?
The InChIKey is BMIAAHIXVVLKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-25(15-18-11-5-7-13-20(18)23)16-22(26)24-21-14-8-6-12-19(21)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide has a molecular weight of 364.88 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 2457136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).