N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide

C18H19Cl2N3O2 — CID 2699991

IUPACN-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-23(11-14-7-8-15(19)16(20)9-14)12-17(24)22-18(25)21-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H2,21,22,24,25)
InChIKeyXYMUMWQDCYZXCL-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.45
Rot. Bonds6

About N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide

N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide (PubChem CID 2699991) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
PubChem CID2699991
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-23(11-14-7-8-15(19)16(20)9-14)12-17(24)22-18(25)21-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H2,21,22,24,25)
InChIKeyXYMUMWQDCYZXCL-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide (CID 2699991) is N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide?
The InChIKey is XYMUMWQDCYZXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-23(11-14-7-8-15(19)16(20)9-14)12-17(24)22-18(25)21-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H2,21,22,24,25).
What are the key properties of N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide?
N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide has a molecular weight of 380.28 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2699991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).