ethyl 2-azido-2-(4-chlorophenyl)acetate

C10H10ClN3O2 — CID 135075502

IUPACethyl 2-azido-2-(4-chlorophenyl)acetate
SMILESCCOC(=O)C(N=[N+]=[N-])c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O2/c1-2-16-10(15)9(13-14-12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3
InChIKeyARBSLBPVRQXDFN-UHFFFAOYSA-N
MW239.66 g/mol
LogP3.25
Rot. Bonds4

About ethyl 2-azido-2-(4-chlorophenyl)acetate

ethyl 2-azido-2-(4-chlorophenyl)acetate (PubChem CID 135075502) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 2-azido-2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-azido-2-(4-chlorophenyl)acetate
PubChem CID135075502
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Nameethyl 2-azido-2-(4-chlorophenyl)acetate
SMILESCCOC(=O)C(N=[N+]=[N-])c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O2/c1-2-16-10(15)9(13-14-12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3
InChIKeyARBSLBPVRQXDFN-UHFFFAOYSA-N
XLogP3.25
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl 2-[(4-chlorophenyl)methylideneamino]-2-phenylacetate
CID 10662075
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
ethyl 2-[azido-(4-chlorophenyl)methyl]-1,4-dimethylpyrrole-3-carboxylate
CID 118095196
(2S)-2-azido-2-[4-[(S)-azido(carboxy)methyl]phenyl]acetic acid
CID 54539704
ethyl (2S,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanoate
CID 11276671
bromo-[1-(4-chlorophenyl)-2-ethoxy-2-oxoethyl]mercury
CID 71355765
(2S)-2-azido-3,3-bis(4-chlorophenyl)propanoic acid
CID 86726383
(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid
CID 10827030

Frequently Asked Questions

What is the IUPAC name of ethyl 2-azido-2-(4-chlorophenyl)acetate?
The IUPAC name of ethyl 2-azido-2-(4-chlorophenyl)acetate (CID 135075502) is ethyl 2-azido-2-(4-chlorophenyl)acetate.
What is the SMILES notation for ethyl 2-azido-2-(4-chlorophenyl)acetate?
The canonical SMILES for ethyl 2-azido-2-(4-chlorophenyl)acetate is CCOC(=O)C(N=[N+]=[N-])c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-azido-2-(4-chlorophenyl)acetate?
The InChIKey is ARBSLBPVRQXDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-2-16-10(15)9(13-14-12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-azido-2-(4-chlorophenyl)acetate?
ethyl 2-azido-2-(4-chlorophenyl)acetate has a molecular weight of 239.66 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-azido-2-(4-chlorophenyl)acetate is sourced from PubChem (CID 135075502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).