2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide

C23H19F2NO3 — CID 18208718

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1F
InChIInChI=1S/C23H19F2NO3/c1-14-3-10-19(13-21(14)25)26-23(28)15(2)29-20-11-6-17(7-12-20)22(27)16-4-8-18(24)9-5-16/h3-13,15H,1-2H3,(H,26,28)
InChIKeySTLIMEJEZOMRCR-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.91
Rot. Bonds6

About 2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide

2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 18208718) has the molecular formula C23H19F2NO3 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID18208718
Molecular FormulaC23H19F2NO3
Molecular Weight395.41 g/mol
Exact Mass395.13
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1F
InChIInChI=1S/C23H19F2NO3/c1-14-3-10-19(13-21(14)25)26-23(28)15(2)29-20-11-6-17(7-12-20)22(27)16-4-8-18(24)9-5-16/h3-13,15H,1-2H3,(H,26,28)
InChIKeySTLIMEJEZOMRCR-UHFFFAOYSA-N
XLogP4.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511595
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
CID 7795231
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 46778387
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 7778576
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide (CID 18208718) is 2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1F.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is STLIMEJEZOMRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO3/c1-14-3-10-19(13-21(14)25)26-23(28)15(2)29-20-11-6-17(7-12-20)22(27)16-4-8-18(24)9-5-16/h3-13,15H,1-2H3,(H,26,28).
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide?
2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 395.41 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 18208718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).