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

C15H17Cl2NO3 — CID 111661613

IUPAC2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H17Cl2NO3/c1-9(21-14-6-11(16)5-12(17)7-14)15(20)18-13-3-2-10(4-13)8-19/h2-3,5-7,9-10,13,19H,4,8H2,1H3,(H,18,20)/t9?,10-,13+/m0/s1
InChIKeyDZPYCCCIKONWNV-QQIFVLEESA-N
MW330.21 g/mol
LogP2.81
Rot. Bonds5

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

2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide (PubChem CID 111661613) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
PubChem CID111661613
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
SMILESCC(Oc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H17Cl2NO3/c1-9(21-14-6-11(16)5-12(17)7-14)15(20)18-13-3-2-10(4-13)8-19/h2-3,5-7,9-10,13,19H,4,8H2,1H3,(H,18,20)/t9?,10-,13+/m0/s1
InChIKeyDZPYCCCIKONWNV-QQIFVLEESA-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

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 111661772
2-(2,4-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
CID 111661668
2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 111696926
N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 10130076
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
N-[2-(aminomethyl)cyclopentyl]-2-(3,5-dichlorophenoxy)propanamide
CID 119604613
2-(3,5-dichlorophenoxy)propanoyl chloride
CID 82042078
(2S)-2-(3,5-dichlorophenoxy)-N-methoxypropanamide
CID 95293041
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide
CID 119385080
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
N-(2-aminoethyl)-2-(3,5-dichlorophenoxy)propanamide;hydrochloride
CID 119385079
2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433605

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide (CID 111661613) is 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide is CC(Oc1cc(Cl)cc(Cl)c1)C(=O)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]propanamide?
The InChIKey is DZPYCCCIKONWNV-QQIFVLEESA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-9(21-14-6-11(16)5-12(17)7-14)15(20)18-13-3-2-10(4-13)8-19/h2-3,5-7,9-10,13,19H,4,8H2,1H3,(H,18,20)/t9?,10-,13+/m0/s1.
What are the key properties of 2-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide?
2-(3,5-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-(3,5-dichlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide is sourced from PubChem (CID 111661613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).