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

C18H20ClN3O2 — CID 2698772

IUPACN-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-22(12-15-7-9-16(19)10-8-15)13-17(23)21-18(24)20-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H2,20,21,23,24)
InChIKeyFFQCIXSCPMPOFY-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.80
Rot. Bonds6

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

N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide (PubChem CID 2698772) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
PubChem CID2698772
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-22(12-15-7-9-16(19)10-8-15)13-17(23)21-18(24)20-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H2,20,21,23,24)
InChIKeyFFQCIXSCPMPOFY-UHFFFAOYSA-N
XLogP2.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide (CID 2698772) is N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
The InChIKey is FFQCIXSCPMPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-22(12-15-7-9-16(19)10-8-15)13-17(23)21-18(24)20-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H2,20,21,23,24).
What are the key properties of N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide?
N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide has a molecular weight of 345.83 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2698772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).