propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate

C10H11Cl2NO3 — CID 3999317

IUPACpropyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate
SMILESCCCOC(=O)N(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO3/c1-2-5-16-10(14)13(15)7-3-4-8(11)9(12)6-7/h3-4,6,15H,2,5H2,1H3
InChIKeyRTOAELYIJFQIRA-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.74
Rot. Bonds3

About propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate

propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate (PubChem CID 3999317) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate.

Molecular Properties

Compound Namepropyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate
PubChem CID3999317
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Namepropyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate
SMILESCCCOC(=O)N(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO3/c1-2-5-16-10(14)13(15)7-3-4-8(11)9(12)6-7/h3-4,6,15H,2,5H2,1H3
InChIKeyRTOAELYIJFQIRA-UHFFFAOYSA-N
XLogP3.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate?
The IUPAC name of propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate (CID 3999317) is propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate.
What is the SMILES notation for propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate?
The canonical SMILES for propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate is CCCOC(=O)N(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate?
The InChIKey is RTOAELYIJFQIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-2-5-16-10(14)13(15)7-3-4-8(11)9(12)6-7/h3-4,6,15H,2,5H2,1H3.
What are the key properties of propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate?
propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate has a molecular weight of 264.11 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(3,4-dichlorophenyl)-N-hydroxycarbamate is sourced from PubChem (CID 3999317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).