2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

C14H15Cl2NO3 — CID 111696926

IUPAC2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESO=C(COc1cc(Cl)cc(Cl)c1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C14H15Cl2NO3/c15-10-4-11(16)6-13(5-10)20-8-14(19)17-12-2-1-9(3-12)7-18/h1-2,4-6,9,12,18H,3,7-8H2,(H,17,19)/t9-,12+/m0/s1
InChIKeySZFJWGOANRHTOU-JOYOIKCWSA-N
MW316.18 g/mol
LogP2.43
Rot. Bonds5

About 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (PubChem CID 111696926) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
PubChem CID111696926
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESO=C(COc1cc(Cl)cc(Cl)c1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C14H15Cl2NO3/c15-10-4-11(16)6-13(5-10)20-8-14(19)17-12-2-1-9(3-12)7-18/h1-2,4-6,9,12,18H,3,7-8H2,(H,17,19)/t9-,12+/m0/s1
InChIKeySZFJWGOANRHTOU-JOYOIKCWSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
CID 111661613
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111661167
3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 110000319
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 111661488
2-(3,5-dichlorophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11906049
2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 71994594
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 111696975
N-(2-adamantyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2268550
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide
CID 111972017

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (CID 111696926) is 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is O=C(COc1cc(Cl)cc(Cl)c1)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The InChIKey is SZFJWGOANRHTOU-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-10-4-11(16)6-13(5-10)20-8-14(19)17-12-2-1-9(3-12)7-18/h1-2,4-6,9,12,18H,3,7-8H2,(H,17,19)/t9-,12+/m0/s1.
What are the key properties of 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide has a molecular weight of 316.18 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 111696926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).