(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide

C23H17FN2O3 — CID 7433353

IUPAC(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C23H17FN2O3/c1-15(23(28)26-20-10-2-16(14-25)3-11-20)29-21-12-6-18(7-13-21)22(27)17-4-8-19(24)9-5-17/h2-13,15H,1H3,(H,26,28)/t15-/m1/s1
InChIKeyMMHJUDDYVPTUBD-OAHLLOKOSA-N
MW388.40 g/mol
LogP4.33
Rot. Bonds6

About (2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide

(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide (PubChem CID 7433353) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
PubChem CID7433353
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C23H17FN2O3/c1-15(23(28)26-20-10-2-16(14-25)3-11-20)29-21-12-6-18(7-13-21)22(27)17-4-8-19(24)9-5-17/h2-13,15H,1H3,(H,26,28)/t15-/m1/s1
InChIKeyMMHJUDDYVPTUBD-OAHLLOKOSA-N
XLogP4.33
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7818685
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
CID 78773604
2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18208718
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
(2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide
CID 95310417
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 7843093

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide (CID 7433353) is (2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide is C[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide?
The InChIKey is MMHJUDDYVPTUBD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-15(23(28)26-20-10-2-16(14-25)3-11-20)29-21-12-6-18(7-13-21)22(27)17-4-8-19(24)9-5-17/h2-13,15H,1H3,(H,26,28)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide?
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide has a molecular weight of 388.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide is sourced from PubChem (CID 7433353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).