2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide

C15H19Cl2NO3 — CID 103280459

IUPAC2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C15H19Cl2NO3/c1-9(21-14-5-3-11(16)7-13(14)17)15(20)18-8-10-2-4-12(19)6-10/h3,5,7,9-10,12,19H,2,4,6,8H2,1H3,(H,18,20)
InChIKeyNELIOIFQVBLVJS-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.04
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide

2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide (PubChem CID 103280459) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
PubChem CID103280459
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C15H19Cl2NO3/c1-9(21-14-5-3-11(16)7-13(14)17)15(20)18-8-10-2-4-12(19)6-10/h3,5,7,9-10,12,19H,2,4,6,8H2,1H3,(H,18,20)
InChIKeyNELIOIFQVBLVJS-UHFFFAOYSA-N
XLogP3.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
(2S)-2-(2,4-dichlorophenoxy)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
CID 97064260
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006623
3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66165822
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837826

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide (CID 103280459) is 2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCC1CCC(O)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is NELIOIFQVBLVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-9(21-14-5-3-11(16)7-13(14)17)15(20)18-8-10-2-4-12(19)6-10/h3,5,7,9-10,12,19H,2,4,6,8H2,1H3,(H,18,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 332.23 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 103280459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).