4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide

C15H18ClNO3 — CID 130333456

IUPAC4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)N[C@H]1CCCC1=O
InChIInChI=1S/C15H18ClNO3/c16-11-6-8-12(9-7-11)20-10-2-5-15(19)17-13-3-1-4-14(13)18/h6-9,13H,1-5,10H2,(H,17,19)/t13-/m0/s1
InChIKeyAHMWURPJWDZKFG-ZDUSSCGKSA-N
MW295.77 g/mol
LogP2.74
Rot. Bonds6

About 4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide

4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide (PubChem CID 130333456) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide
PubChem CID130333456
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)N[C@H]1CCCC1=O
InChIInChI=1S/C15H18ClNO3/c16-11-6-8-12(9-7-11)20-10-2-5-15(19)17-13-3-1-4-14(13)18/h6-9,13H,1-5,10H2,(H,17,19)/t13-/m0/s1
InChIKeyAHMWURPJWDZKFG-ZDUSSCGKSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide (CID 130333456) is 4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide is O=C(CCCOc1ccc(Cl)cc1)N[C@H]1CCCC1=O.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide?
The InChIKey is AHMWURPJWDZKFG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-11-6-8-12(9-7-11)20-10-2-5-15(19)17-13-3-1-4-14(13)18/h6-9,13H,1-5,10H2,(H,17,19)/t13-/m0/s1.
What are the key properties of 4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide?
4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide has a molecular weight of 295.77 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[(1S)-2-oxocyclopentyl]butanamide is sourced from PubChem (CID 130333456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).