N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

C18H19Cl2N3O2 — CID 26018842

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O2/c1-12-2-4-13(5-3-12)9-22-18(25)23-11-17(24)21-10-14-6-7-15(19)8-16(14)20/h2-8H,9-11H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyVOJOBNGVXNIBKN-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.42
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (PubChem CID 26018842) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
PubChem CID26018842
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O2/c1-12-2-4-13(5-3-12)9-22-18(25)23-11-17(24)21-10-14-6-7-15(19)8-16(14)20/h2-8H,9-11H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyVOJOBNGVXNIBKN-UHFFFAOYSA-N
XLogP3.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24609586
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide
CID 2712591
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 55473112
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24604643

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (CID 26018842) is N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is Cc1ccc(CNC(=O)NCC(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The InChIKey is VOJOBNGVXNIBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-12-2-4-13(5-3-12)9-22-18(25)23-11-17(24)21-10-14-6-7-15(19)8-16(14)20/h2-8H,9-11H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide has a molecular weight of 380.28 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 26018842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).