4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide

C14H16ClNO4 — CID 50990927

IUPAC4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C14H16ClNO4/c15-10-3-5-11(6-4-10)19-8-1-2-13(17)16-12-7-9-20-14(12)18/h3-6,12H,1-2,7-9H2,(H,16,17)/t12-/m0/s1
InChIKeyBKVYYPQMGSVOHB-LBPRGKRZSA-N
MW297.74 g/mol
LogP1.93
Rot. Bonds6

About 4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide

4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide (PubChem CID 50990927) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide
PubChem CID50990927
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C14H16ClNO4/c15-10-3-5-11(6-4-10)19-8-1-2-13(17)16-12-7-9-20-14(12)18/h3-6,12H,1-2,7-9H2,(H,16,17)/t12-/m0/s1
InChIKeyBKVYYPQMGSVOHB-LBPRGKRZSA-N
XLogP1.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3S)-2-oxooxolan-3-yl]butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide (CID 50990927) is 4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide is O=C(CCCOc1ccc(Cl)cc1)N[C@H]1CCOC1=O.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The InChIKey is BKVYYPQMGSVOHB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-10-3-5-11(6-4-10)19-8-1-2-13(17)16-12-7-9-20-14(12)18/h3-6,12H,1-2,7-9H2,(H,16,17)/t12-/m0/s1.
What are the key properties of 4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide?
4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide has a molecular weight of 297.74 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[(3S)-2-oxooxolan-3-yl]butanamide is sourced from PubChem (CID 50990927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).