N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide

C11H15ClN2O — CID 2113275

IUPACN-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-2-13-8-11(15)14-7-9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyYFURYGDITSLJFZ-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.57
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide (PubChem CID 2113275) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide
PubChem CID2113275
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-2-13-8-11(15)14-7-9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyYFURYGDITSLJFZ-UHFFFAOYSA-N
XLogP1.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide (CID 2113275) is N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide is CCNCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide?
The InChIKey is YFURYGDITSLJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-2-13-8-11(15)14-7-9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3,(H,14,15).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide has a molecular weight of 226.71 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(ethylamino)acetamide is sourced from PubChem (CID 2113275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).