2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide

C15H17Cl2NO3 — CID 111661668

IUPAC2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H17Cl2NO3/c1-9(21-14-5-3-11(16)7-13(14)17)15(20)18-12-4-2-10(6-12)8-19/h2-5,7,9-10,12,19H,6,8H2,1H3,(H,18,20)/t9?,10-,12+/m0/s1
InChIKeyVYHSSSPUKWDIIJ-OJBNZGHXSA-N
MW330.21 g/mol
LogP2.81
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide

2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide (PubChem CID 111661668) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
PubChem CID111661668
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H17Cl2NO3/c1-9(21-14-5-3-11(16)7-13(14)17)15(20)18-12-4-2-10(6-12)8-19/h2-5,7,9-10,12,19H,6,8H2,1H3,(H,18,20)/t9?,10-,12+/m0/s1
InChIKeyVYHSSSPUKWDIIJ-OJBNZGHXSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
CID 111661613
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 111661772
(2S)-N-(2-adamantylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
CID 27059827
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
2-(2,4-dichlorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103280459
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide (CID 111661668) is 2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
The InChIKey is VYHSSSPUKWDIIJ-OJBNZGHXSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-9(21-14-5-3-11(16)7-13(14)17)15(20)18-12-4-2-10(6-12)8-19/h2-5,7,9-10,12,19H,6,8H2,1H3,(H,18,20)/t9?,10-,12+/m0/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide has a molecular weight of 330.21 g/mol, XLogP of 2.81, 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-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide is sourced from PubChem (CID 111661668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).