4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide

C14H17ClN2O3 — CID 171344377

IUPAC4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide
SMILESO=C(CCCNc1ccc(Cl)cc1)NC1CCOC1=O
InChIInChI=1S/C14H17ClN2O3/c15-10-3-5-11(6-4-10)16-8-1-2-13(18)17-12-7-9-20-14(12)19/h3-6,12,16H,1-2,7-9H2,(H,17,18)
InChIKeyJZLPWWIYELZUJX-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.96
Rot. Bonds6

About 4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide

4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide (PubChem CID 171344377) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide
PubChem CID171344377
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide
SMILESO=C(CCCNc1ccc(Cl)cc1)NC1CCOC1=O
InChIInChI=1S/C14H17ClN2O3/c15-10-3-5-11(6-4-10)16-8-1-2-13(18)17-12-7-9-20-14(12)19/h3-6,12,16H,1-2,7-9H2,(H,17,18)
InChIKeyJZLPWWIYELZUJX-UHFFFAOYSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.96
H-Bond Donors ≤ 52
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-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide?
The IUPAC name of 4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide (CID 171344377) is 4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide.
What is the SMILES notation for 4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide?
The canonical SMILES for 4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide is O=C(CCCNc1ccc(Cl)cc1)NC1CCOC1=O.
What is the InChIKey of 4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide?
The InChIKey is JZLPWWIYELZUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-10-3-5-11(6-4-10)16-8-1-2-13(18)17-12-7-9-20-14(12)19/h3-6,12,16H,1-2,7-9H2,(H,17,18).
What are the key properties of 4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide?
4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide has a molecular weight of 296.75 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloroanilino)-N-(2-oxooxolan-3-yl)butanamide is sourced from PubChem (CID 171344377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).