2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide

C19H21F2NO2 — CID 43024778

IUPAC2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H21F2NO2/c1-12(18(23)22-17-11-14(20)7-10-16(17)21)24-15-8-5-13(6-9-15)19(2,3)4/h5-12H,1-4H3,(H,22,23)
InChIKeyURCWSLDMBBEKSH-UHFFFAOYSA-N
MW333.38 g/mol
LogP4.67
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide

2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide (PubChem CID 43024778) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
PubChem CID43024778
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H21F2NO2/c1-12(18(23)22-17-11-14(20)7-10-16(17)21)24-15-8-5-13(6-9-15)19(2,3)4/h5-12H,1-4H3,(H,22,23)
InChIKeyURCWSLDMBBEKSH-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide
CID 46735854
2-(4-bromophenoxy)-N-(2,5-difluorophenyl)propanamide
CID 18084146
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
dimethyl 5-[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylate
CID 8740568
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)propanoate
CID 55420222
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754
N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 86918507

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide (CID 43024778) is 2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide?
The InChIKey is URCWSLDMBBEKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-12(18(23)22-17-11-14(20)7-10-16(17)21)24-15-8-5-13(6-9-15)19(2,3)4/h5-12H,1-4H3,(H,22,23).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide?
2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide has a molecular weight of 333.38 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 43024778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).