N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide

C14H15Cl3N2O3 — CID 2571059

IUPACN-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NC(=O)NC1CCCC1
InChIInChI=1S/C14H15Cl3N2O3/c15-9-5-11(17)12(6-10(9)16)22-7-13(20)19-14(21)18-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,18,19,20,21)
InChIKeyGDEWILLWBGMFKS-UHFFFAOYSA-N
MW365.64 g/mol
LogP3.79
Rot. Bonds4

About N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide

N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 2571059) has the molecular formula C14H15Cl3N2O3 and a molecular weight of 365.64 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID2571059
Molecular FormulaC14H15Cl3N2O3
Molecular Weight365.64 g/mol
Exact Mass364.01
IUPAC NameN-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NC(=O)NC1CCCC1
InChIInChI=1S/C14H15Cl3N2O3/c15-9-5-11(17)12(6-10(9)16)22-7-13(20)19-14(21)18-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,18,19,20,21)
InChIKeyGDEWILLWBGMFKS-UHFFFAOYSA-N
XLogP3.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.64
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 2571059) is N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is GDEWILLWBGMFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N2O3/c15-9-5-11(17)12(6-10(9)16)22-7-13(20)19-14(21)18-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,18,19,20,21).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 365.64 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 2571059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).