N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide

C11H13ClN2O2 — CID 3244484

IUPACN-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide
SMILESO=CNCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c12-10-3-1-9(2-4-10)5-6-14-11(16)7-13-8-15/h1-4,8H,5-7H2,(H,13,15)(H,14,16)
InChIKeyUXRIDYJLBJVJSG-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.74
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide

N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide (PubChem CID 3244484) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide
PubChem CID3244484
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide
SMILESO=CNCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c12-10-3-1-9(2-4-10)5-6-14-11(16)7-13-8-15/h1-4,8H,5-7H2,(H,13,15)(H,14,16)
InChIKeyUXRIDYJLBJVJSG-UHFFFAOYSA-N
XLogP0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 71627764
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 109002927
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
CID 109002824
N-[2-(4-chlorophenyl)ethyl]-2-isocyanoacetamide
CID 108814908

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide (CID 3244484) is N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide is O=CNCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide?
The InChIKey is UXRIDYJLBJVJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-3-1-9(2-4-10)5-6-14-11(16)7-13-8-15/h1-4,8H,5-7H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide has a molecular weight of 240.69 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide is sourced from PubChem (CID 3244484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).