methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate

C12H13Cl2NO2 — CID 55063476

IUPACmethyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2NO2/c1-3-4-15-11(12(16)17-2)8-5-9(13)7-10(14)6-8/h3,5-7,11,15H,1,4H2,2H3
InChIKeyDLKZLOOVIRMDMR-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.98
Rot. Bonds5

About methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate

methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate (PubChem CID 55063476) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate
PubChem CID55063476
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Namemethyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OC)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2NO2/c1-3-4-15-11(12(16)17-2)8-5-9(13)7-10(14)6-8/h3,5-7,11,15H,1,4H2,2H3
InChIKeyDLKZLOOVIRMDMR-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-chloro-2-fluorophenyl)-2-(prop-2-enylamino)acetate
CID 114843762
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
methyl 2-(4-tert-butylphenyl)-2-(prop-2-enylamino)acetate
CID 62355280
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(prop-2-enylamino)acetate
CID 107124379
methyl 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(prop-2-enylamino)acetate
CID 62355073
methyl 2-(3-chloro-5-fluorophenyl)-2-(prop-2-ynylamino)acetate
CID 114453703
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide
CID 2494683
N-(3,5-dichlorophenyl)-2-phenyl-2-(prop-2-enylamino)acetamide
CID 4883750
ethyl 2-(3,4-dimethylphenyl)-2-(prop-2-enylamino)acetate
CID 62352914
methyl 2-bromo-2-(3,5-dichlorophenyl)acetate
CID 77174840
methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate
CID 115959645
ethyl 2-(3,4-dibromophenyl)-2-(prop-2-enylamino)acetate
CID 114077403

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate?
The IUPAC name of methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate (CID 55063476) is methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate.
What is the SMILES notation for methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate?
The canonical SMILES for methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate is C=CCNC(C(=O)OC)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate?
The InChIKey is DLKZLOOVIRMDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-3-4-15-11(12(16)17-2)8-5-9(13)7-10(14)6-8/h3,5-7,11,15H,1,4H2,2H3.
What are the key properties of methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate?
methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate has a molecular weight of 274.15 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 55063476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).