2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide

C19H22FNO2 — CID 2938601

IUPAC2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FNO2/c1-13(18(22)21-16-9-7-15(20)8-10-16)23-17-11-5-14(6-12-17)19(2,3)4/h5-13H,1-4H3,(H,21,22)
InChIKeyNYCXITZUXBRBKN-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.53
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide

2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide (PubChem CID 2938601) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
PubChem CID2938601
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FNO2/c1-13(18(22)21-16-9-7-15(20)8-10-16)23-17-11-5-14(6-12-17)19(2,3)4/h5-13H,1-4H3,(H,21,22)
InChIKeyNYCXITZUXBRBKN-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 21367163
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 46778387
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide (CID 2938601) is 2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide?
The InChIKey is NYCXITZUXBRBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13(18(22)21-16-9-7-15(20)8-10-16)23-17-11-5-14(6-12-17)19(2,3)4/h5-13H,1-4H3,(H,21,22).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide?
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide has a molecular weight of 315.39 g/mol, XLogP of 4.53, 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-(4-fluorophenyl)propanamide is sourced from PubChem (CID 2938601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).