N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide

C12H14Cl3NO2 — CID 133052773

IUPACN-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide
SMILESCCCN(C=O)CCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO2/c1-2-3-16(8-17)4-5-18-12-10(14)6-9(13)7-11(12)15/h6-8H,2-5H2,1H3
InChIKeyUYGPHUXNXJCWGM-UHFFFAOYSA-N
MW310.61 g/mol
LogP3.89
Rot. Bonds7

About N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide

N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide (PubChem CID 133052773) has the molecular formula C12H14Cl3NO2 and a molecular weight of 310.61 g/mol. Its IUPAC name is N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide.

Molecular Properties

Compound NameN-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide
PubChem CID133052773
Molecular FormulaC12H14Cl3NO2
Molecular Weight310.61 g/mol
Exact Mass309.01
IUPAC NameN-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide
SMILESCCCN(C=O)CCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO2/c1-2-3-16(8-17)4-5-18-12-10(14)6-9(13)7-11(12)15/h6-8H,2-5H2,1H3
InChIKeyUYGPHUXNXJCWGM-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.61
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide?
The IUPAC name of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide (CID 133052773) is N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide.
What is the SMILES notation for N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide?
The canonical SMILES for N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide is CCCN(C=O)CCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide?
The InChIKey is UYGPHUXNXJCWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO2/c1-2-3-16(8-17)4-5-18-12-10(14)6-9(13)7-11(12)15/h6-8H,2-5H2,1H3.
What are the key properties of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide?
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide has a molecular weight of 310.61 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]formamide is sourced from PubChem (CID 133052773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).