N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide

C19H19F2NO3 — CID 110307315

IUPACN-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCCCOc1ccc(F)cc1
InChIInChI=1S/C19H19F2NO3/c20-15-4-2-14(3-5-15)18(23)10-11-19(24)22-12-1-13-25-17-8-6-16(21)7-9-17/h2-9H,1,10-13H2,(H,22,24)
InChIKeySEXJLBPXDUDQKM-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.51
Rot. Bonds9

About N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 110307315) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID110307315
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCCCOc1ccc(F)cc1
InChIInChI=1S/C19H19F2NO3/c20-15-4-2-14(3-5-15)18(23)10-11-19(24)22-12-1-13-25-17-8-6-16(21)7-9-17/h2-9H,1,10-13H2,(H,22,24)
InChIKeySEXJLBPXDUDQKM-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.51
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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Related Compounds

4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78796002
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 21487435
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 110307315) is N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)NCCCOc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is SEXJLBPXDUDQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3/c20-15-4-2-14(3-5-15)18(23)10-11-19(24)22-12-1-13-25-17-8-6-16(21)7-9-17/h2-9H,1,10-13H2,(H,22,24).
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 347.36 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 110307315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).