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

C18H19F2NO2 — CID 99817878

IUPAC(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
SMILESCC[C@H](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)/t16-/m0/s1
InChIKeyPKGCXQJCQVWPLX-INIZCTEOSA-N
MW319.35 g/mol
LogP3.48
Rot. Bonds7

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

(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide (PubChem CID 99817878) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
PubChem CID99817878
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
SMILESCC[C@H](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)/t16-/m0/s1
InChIKeyPKGCXQJCQVWPLX-INIZCTEOSA-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

2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
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 (2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide (CID 99817878) is (2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide is CC[C@H](Oc1ccccc1F)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is PKGCXQJCQVWPLX-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide?
(2S)-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 (2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 99817878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).