N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide

C26H26FNO3 — CID 46778387

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H26FNO3/c1-17(31-23-14-12-21(27)13-15-23)25(30)28-22-7-5-6-19(16-22)24(29)18-8-10-20(11-9-18)26(2,3)4/h5-17H,1-4H3,(H,28,30)
InChIKeyQSMNHZYJRKOSFT-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.76
Rot. Bonds6

About N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide

N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 46778387) has the molecular formula C26H26FNO3 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
PubChem CID46778387
Molecular FormulaC26H26FNO3
Molecular Weight419.50 g/mol
Exact Mass419.19
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H26FNO3/c1-17(31-23-14-12-21(27)13-15-23)25(30)28-22-7-5-6-19(16-22)24(29)18-8-10-20(11-9-18)26(2,3)4/h5-17H,1-4H3,(H,28,30)
InChIKeyQSMNHZYJRKOSFT-UHFFFAOYSA-N
XLogP5.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 94016671
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide
CID 94012105
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92675891
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
CID 43908425
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide
CID 17198918
2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18208718
N-(3-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
CID 53266696
(2S)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 92683156

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide (CID 46778387) is N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide is CC(Oc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is QSMNHZYJRKOSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO3/c1-17(31-23-14-12-21(27)13-15-23)25(30)28-22-7-5-6-19(16-22)24(29)18-8-10-20(11-9-18)26(2,3)4/h5-17H,1-4H3,(H,28,30).
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 419.50 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 46778387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).