prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate

C12H11Cl2NO3 — CID 121405265

IUPACprop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate
SMILESC=CCOC(=O)NCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2NO3/c1-2-5-18-12(17)15-7-11(16)8-3-4-9(13)10(14)6-8/h2-4,6H,1,5,7H2,(H,15,17)
InChIKeyLVJGNZNBQJYDHJ-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.09
Rot. Bonds5

About prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate

prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate (PubChem CID 121405265) has the molecular formula C12H11Cl2NO3 and a molecular weight of 288.13 g/mol. Its IUPAC name is prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate
PubChem CID121405265
Molecular FormulaC12H11Cl2NO3
Molecular Weight288.13 g/mol
Exact Mass287.01
IUPAC Nameprop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate
SMILESC=CCOC(=O)NCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2NO3/c1-2-5-18-12(17)15-7-11(16)8-3-4-9(13)10(14)6-8/h2-4,6H,1,5,7H2,(H,15,17)
InChIKeyLVJGNZNBQJYDHJ-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.09
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

prop-2-enyl N-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]carbamate
CID 121405316
1-(3,4-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 116588698
ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 2758176
1-(3,4-dichlorophenyl)-2-sulfanylethanone
CID 58957134
1-(4-amino-3-chlorophenyl)oct-7-en-1-one
CID 107010902
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate
CID 108570849
[2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid
CID 126618585
prop-2-enyl N-[3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]carbamate
CID 121405312
3-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 2758063
1-(4-chloro-3-methylphenyl)pent-4-en-1-one
CID 114974964
1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 24724011

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate (CID 121405265) is prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate is C=CCOC(=O)NCC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate?
The InChIKey is LVJGNZNBQJYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3/c1-2-5-18-12(17)15-7-11(16)8-3-4-9(13)10(14)6-8/h2-4,6H,1,5,7H2,(H,15,17).
What are the key properties of prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate?
prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate has a molecular weight of 288.13 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-(3,4-dichlorophenyl)-2-oxoethyl]carbamate is sourced from PubChem (CID 121405265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).