N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide

C12H13Cl3N2O2 — CID 119453282

IUPACN-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CCNC1
InChIInChI=1S/C12H13Cl3N2O2/c13-8-3-10(15)11(4-9(8)14)19-6-12(18)17-7-1-2-16-5-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyWHNUXIDRWTUMGS-UHFFFAOYSA-N
MW323.61 g/mol
LogP2.50
Rot. Bonds4

About N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide

N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 119453282) has the molecular formula C12H13Cl3N2O2 and a molecular weight of 323.61 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID119453282
Molecular FormulaC12H13Cl3N2O2
Molecular Weight323.61 g/mol
Exact Mass322.00
IUPAC NameN-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CCNC1
InChIInChI=1S/C12H13Cl3N2O2/c13-8-3-10(15)11(4-9(8)14)19-6-12(18)17-7-1-2-16-5-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyWHNUXIDRWTUMGS-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.61
LogP ≤ 52.50
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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Related Compounds

2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 62367000
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386912
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 49074675
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120577990
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7477102
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2525176

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide (CID 119453282) is N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is WHNUXIDRWTUMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2O2/c13-8-3-10(15)11(4-9(8)14)19-6-12(18)17-7-1-2-16-5-7/h3-4,7,16H,1-2,5-6H2,(H,17,18).
What are the key properties of N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide?
N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 323.61 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 119453282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).