2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide

C18H20ClN3O2 — CID 46573663

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C18H20ClN3O2/c1-13(14-8-10-15(19)11-9-14)22(2)12-17(23)21-18(24)20-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,20,21,23,24)
InChIKeyQMEGPBFBOOAICS-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.68
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide

2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide (PubChem CID 46573663) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide
PubChem CID46573663
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C18H20ClN3O2/c1-13(14-8-10-15(19)11-9-14)22(2)12-17(23)21-18(24)20-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,20,21,23,24)
InChIKeyQMEGPBFBOOAICS-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 46575229
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
CID 113162054
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 86983861
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide
CID 60512943
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide
CID 46573593
N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18124847
3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 46573730
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 46573873
1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea
CID 2359267

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide (CID 46573663) is 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide is CC(c1ccc(Cl)cc1)N(C)CC(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide?
The InChIKey is QMEGPBFBOOAICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13(14-8-10-15(19)11-9-14)22(2)12-17(23)21-18(24)20-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,20,21,23,24).
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide?
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 46573663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).