2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide

C16H17ClN2O — CID 145157722

IUPAC2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)CN)c1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-19(16(20)11-18)15-8-7-14(17)10-13(15)9-12-5-3-2-4-6-12/h2-8,10H,9,11,18H2,1H3
InChIKeyXQALSLYFRCZWMK-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.85
Rot. Bonds4

About 2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide

2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide (PubChem CID 145157722) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide
PubChem CID145157722
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)CN)c1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-19(16(20)11-18)15-8-7-14(17)10-13(15)9-12-5-3-2-4-6-12/h2-8,10H,9,11,18H2,1H3
InChIKeyXQALSLYFRCZWMK-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide?
The IUPAC name of 2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide (CID 145157722) is 2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide?
The canonical SMILES for 2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide is CN(C(=O)CN)c1ccc(Cl)cc1Cc1ccccc1.
What is the InChIKey of 2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide?
The InChIKey is XQALSLYFRCZWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19(16(20)11-18)15-8-7-14(17)10-13(15)9-12-5-3-2-4-6-12/h2-8,10H,9,11,18H2,1H3.
What are the key properties of 2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide?
2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide has a molecular weight of 288.78 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 145157722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).