N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide

C11H11ClN2O — CID 108814900

IUPACN-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide
SMILES[C-]#[N+]CC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C11H11ClN2O/c1-13-8-11(15)14-7-6-9-4-2-3-5-10(9)12/h2-5H,6-8H2,(H,14,15)
InChIKeyLNUDJONUEKAXBK-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.92
Rot. Bonds4

About N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide

N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide (PubChem CID 108814900) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide
PubChem CID108814900
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide
SMILES[C-]#[N+]CC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C11H11ClN2O/c1-13-8-11(15)14-7-6-9-4-2-3-5-10(9)12/h2-5H,6-8H2,(H,14,15)
InChIKeyLNUDJONUEKAXBK-UHFFFAOYSA-N
XLogP1.92
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
4-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 86853299
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 90008849
2-chloro-N-[2-(3-chloro-2-fluorophenyl)ethyl]acetamide
CID 166409215
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
CID 28783444

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide (CID 108814900) is N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide is [C-]#[N+]CC(=O)NCCc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide?
The InChIKey is LNUDJONUEKAXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-13-8-11(15)14-7-6-9-4-2-3-5-10(9)12/h2-5H,6-8H2,(H,14,15).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide?
N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide has a molecular weight of 222.68 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide is sourced from PubChem (CID 108814900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).