4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide

C21H22FNO4 — CID 87020615

IUPAC4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C21H22FNO4/c22-16-5-3-15(4-6-16)20(24)11-12-21(25)23-17-7-9-18(10-8-17)27-14-19-2-1-13-26-19/h3-10,19H,1-2,11-14H2,(H,23,25)
InChIKeyAXONZLXVQJOESU-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.99
Rot. Bonds8

About 4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide

4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide (PubChem CID 87020615) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
PubChem CID87020615
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C21H22FNO4/c22-16-5-3-15(4-6-16)20(24)11-12-21(25)23-17-7-9-18(10-8-17)27-14-19-2-1-13-26-19/h3-10,19H,1-2,11-14H2,(H,23,25)
InChIKeyAXONZLXVQJOESU-UHFFFAOYSA-N
XLogP3.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 131890314
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445362
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
CID 17339145
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233663
4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide
CID 55527756
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide (CID 87020615) is 4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide is O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
The InChIKey is AXONZLXVQJOESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c22-16-5-3-15(4-6-16)20(24)11-12-21(25)23-17-7-9-18(10-8-17)27-14-19-2-1-13-26-19/h3-10,19H,1-2,11-14H2,(H,23,25).
What are the key properties of 4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide?
4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide has a molecular weight of 371.41 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 87020615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).