2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide

C11H13ClN2O2 — CID 43310552

IUPAC2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide
SMILESCNC(=O)CNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C11H13ClN2O2/c1-13-9(15)7-14-11(16)10(12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyFPYJZHRNFVKYIX-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.83
Rot. Bonds4

About 2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide

2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 43310552) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide
PubChem CID43310552
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide
SMILESCNC(=O)CNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C11H13ClN2O2/c1-13-9(15)7-14-11(16)10(12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyFPYJZHRNFVKYIX-UHFFFAOYSA-N
XLogP0.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide
CID 106275818
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61251247
3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
CID 115649428
3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide
CID 114167195
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904
2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide
CID 43168069
2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylacetamide
CID 61251084
N-methyl-3,3-diphenylpropanamide
CID 3373592
2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide
CID 66173478

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide (CID 43310552) is 2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide is CNC(=O)CNC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is FPYJZHRNFVKYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-13-9(15)7-14-11(16)10(12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide?
2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 240.69 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 43310552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).