methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate

C12H15ClN2O3 — CID 112995851

IUPACmethyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-18-12(17)15-8-11(16)14-6-5-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyAKXBKLWUOHACHL-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.35
Rot. Bonds5

About methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate

methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate (PubChem CID 112995851) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
PubChem CID112995851
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Namemethyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-18-12(17)15-8-11(16)14-6-5-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyAKXBKLWUOHACHL-UHFFFAOYSA-N
XLogP1.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112995842
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112995856
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
CID 109006882
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
CID 108943310
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644
3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993552
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate (CID 112995851) is methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate?
The InChIKey is AKXBKLWUOHACHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-18-12(17)15-8-11(16)14-6-5-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate?
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate has a molecular weight of 270.72 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 112995851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).