2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate

C11H12Cl2N2O4 — CID 175188468

IUPAC2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O4/c12-8-2-1-7(5-9(8)13)19-6-10(16)15-3-4-18-11(14)17/h1-2,5H,3-4,6H2,(H2,14,17)(H,15,16)
InChIKeyOKCHNZUWFHZVNP-UHFFFAOYSA-N
MW307.13 g/mol
LogP1.58
Rot. Bonds6

About 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate

2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate (PubChem CID 175188468) has the molecular formula C11H12Cl2N2O4 and a molecular weight of 307.13 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
PubChem CID175188468
Molecular FormulaC11H12Cl2N2O4
Molecular Weight307.13 g/mol
Exact Mass306.02
IUPAC Name2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O4/c12-8-2-1-7(5-9(8)13)19-6-10(16)15-3-4-18-11(14)17/h1-2,5H,3-4,6H2,(H2,14,17)(H,15,16)
InChIKeyOKCHNZUWFHZVNP-UHFFFAOYSA-N
XLogP1.58
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
N-[2-(cyanoamino)ethyl]-2-(3,4-dichlorophenoxy)acetamide
CID 154687601
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119505786
N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide
CID 115636790
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209571
2-(3,4-dichlorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604221
2-[[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]amino]ethyl carbamate
CID 83205911
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
CID 39490271
2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide
CID 79676223
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate (CID 175188468) is 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate is NC(=O)OCCNC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate?
The InChIKey is OKCHNZUWFHZVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O4/c12-8-2-1-7(5-9(8)13)19-6-10(16)15-3-4-18-11(14)17/h1-2,5H,3-4,6H2,(H2,14,17)(H,15,16).
What are the key properties of 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate?
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate has a molecular weight of 307.13 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate is sourced from PubChem (CID 175188468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).