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

C17H19ClN2O — CID 4879874

IUPACN-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-20(12-15-7-9-16(18)10-8-15)13-17(21)19-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyYIUFLEKBPOFGRI-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.09
Rot. Bonds6

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

N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide (PubChem CID 4879874) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide
PubChem CID4879874
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-20(12-15-7-9-16(18)10-8-15)13-17(21)19-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyYIUFLEKBPOFGRI-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide (CID 4879874) is N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
The InChIKey is YIUFLEKBPOFGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(12-15-7-9-16(18)10-8-15)13-17(21)19-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 4879874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).