2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide

C18H19F2NO2 — CID 133211109

IUPAC2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H19F2NO2/c1-2-16(23-17-6-4-3-5-15(17)20)18(22)21-12-11-13-7-9-14(19)10-8-13/h3-10,16H,2,11-12H2,1H3,(H,21,22)
InChIKeyPKGCXQJCQVWPLX-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.48
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide

2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide (PubChem CID 133211109) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
PubChem CID133211109
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H19F2NO2/c1-2-16(23-17-6-4-3-5-15(17)20)18(22)21-12-11-13-7-9-14(19)10-8-13/h3-10,16H,2,11-12H2,1H3,(H,21,22)
InChIKeyPKGCXQJCQVWPLX-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255707
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
CID 133211115
N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909517
(2R)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 93487591
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 99818320

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide (CID 133211109) is 2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide is CCC(Oc1ccccc1F)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is PKGCXQJCQVWPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-2-16(23-17-6-4-3-5-15(17)20)18(22)21-12-11-13-7-9-14(19)10-8-13/h3-10,16H,2,11-12H2,1H3,(H,21,22).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide?
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide has a molecular weight of 319.35 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 133211109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).