ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate

C12H14ClNO3 — CID 102039959

IUPACethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate
SMILESCCOC(=O)C(Cl)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H14ClNO3/c1-2-17-12(16)11(13)14-10(15)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,14,15)
InChIKeyQBZDOXYZFFDNKM-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.47
Rot. Bonds5

About ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate

ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate (PubChem CID 102039959) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate
PubChem CID102039959
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Nameethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate
SMILESCCOC(=O)C(Cl)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H14ClNO3/c1-2-17-12(16)11(13)14-10(15)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,14,15)
InChIKeyQBZDOXYZFFDNKM-UHFFFAOYSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-chloro-2-(phenylmethoxycarbonylamino)acetate
CID 14991414
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
1-O-ethyl 3-O-[(2-phenylacetyl)amino] 2-ethylpropanedioate
CID 174491900
ethyl 2-phenylacetate
CID 7590
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
ethyl (2R)-4-oxo-4-(pentylamino)-2-[(2-phenylacetyl)amino]butanoate
CID 11131836
ethyl carbamate;2-phenylacetic acid
CID 153376104
2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
N-hexan-3-yl-2-phenylacetamide
CID 129166933
ethyl 2-phenylacetate;hydrate
CID 141257001
[(1R,2S)-3-ethoxy-3-oxo-1-phenyl-2-[(2-phenylacetyl)amino]propyl] tetradecanoate
CID 11353182

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate (CID 102039959) is ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate is CCOC(=O)C(Cl)NC(=O)Cc1ccccc1.
What is the InChIKey of ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate?
The InChIKey is QBZDOXYZFFDNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-2-17-12(16)11(13)14-10(15)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,14,15).
What are the key properties of ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate?
ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate has a molecular weight of 255.70 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 102039959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).