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

C16H15ClN2O2 — CID 12746775

IUPAC2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3
InChIKeyHQJSGBKPXYZTRN-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.49
Rot. Bonds4

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

2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide (PubChem CID 12746775) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide
PubChem CID12746775
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3
InChIKeyHQJSGBKPXYZTRN-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide?
The IUPAC name of 2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide (CID 12746775) is 2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide?
The canonical SMILES for 2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide is CN(C(=O)CN)c1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of 2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide?
The InChIKey is HQJSGBKPXYZTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3.
What are the key properties of 2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide?
2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide has a molecular weight of 302.76 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 12746775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).