4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide

C18H17F2NO2 — CID 110411259

IUPAC4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C18H17F2NO2/c19-14-7-5-13(6-8-14)11-12-21-18(23)10-9-17(22)15-3-1-2-4-16(15)20/h1-8H,9-12H2,(H,21,23)
InChIKeyZWKPTSQQBCRFEC-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.29
Rot. Bonds7

About 4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide

4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide (PubChem CID 110411259) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
PubChem CID110411259
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C18H17F2NO2/c19-14-7-5-13(6-8-14)11-12-21-18(23)10-9-17(22)15-3-1-2-4-16(15)20/h1-8H,9-12H2,(H,21,23)
InChIKeyZWKPTSQQBCRFEC-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
CID 110414975
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 7863944
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide
CID 110389848
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020851
N-[2-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024783
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110407748
N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18104964

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide (CID 110411259) is 4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide is O=C(CCC(=O)c1ccccc1F)NCCc1ccc(F)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide?
The InChIKey is ZWKPTSQQBCRFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c19-14-7-5-13(6-8-14)11-12-21-18(23)10-9-17(22)15-3-1-2-4-16(15)20/h1-8H,9-12H2,(H,21,23).
What are the key properties of 4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide?
4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide has a molecular weight of 317.34 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide is sourced from PubChem (CID 110411259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).