(2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide

C23H18ClF2NO3 — CID 68766127

IUPAC(2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide
SMILESC[C@@H](Oc1ccc(O/C(F)=C/c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C23H18ClF2NO3/c1-15(23(28)27-21-5-3-2-4-20(21)25)29-18-10-12-19(13-11-18)30-22(26)14-16-6-8-17(24)9-7-16/h2-15H,1H3,(H,27,28)/b22-14+/t15-/m1/s1
InChIKeyHAGVQCHVCVMUNW-QQHUYRGFSA-N
MW429.85 g/mol
LogP6.23
Rot. Bonds7

About (2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide

(2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide (PubChem CID 68766127) has the molecular formula C23H18ClF2NO3 and a molecular weight of 429.85 g/mol. Its IUPAC name is (2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide
PubChem CID68766127
Molecular FormulaC23H18ClF2NO3
Molecular Weight429.85 g/mol
Exact Mass429.09
IUPAC Name(2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide
SMILESC[C@@H](Oc1ccc(O/C(F)=C/c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C23H18ClF2NO3/c1-15(23(28)27-21-5-3-2-4-20(21)25)29-18-10-12-19(13-11-18)30-22(26)14-16-6-8-17(24)9-7-16/h2-15H,1H3,(H,27,28)/b22-14+/t15-/m1/s1
InChIKeyHAGVQCHVCVMUNW-QQHUYRGFSA-N
XLogP6.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.85
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931375
(2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-(1-fluoro-2-phenylethenoxy)phenoxy]propanamide
CID 68524179
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
CID 42904434
(2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(Z)-1-fluoro-2-(4-methylphenyl)ethenoxy]phenoxy]propanamide
CID 68521850
(2S)-2-(2,5-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 7269908
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide (CID 68766127) is (2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide is C[C@@H](Oc1ccc(O/C(F)=C/c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of (2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide?
The InChIKey is HAGVQCHVCVMUNW-QQHUYRGFSA-N. The full InChI is InChI=1S/C23H18ClF2NO3/c1-15(23(28)27-21-5-3-2-4-20(21)25)29-18-10-12-19(13-11-18)30-22(26)14-16-6-8-17(24)9-7-16/h2-15H,1H3,(H,27,28)/b22-14+/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide?
(2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide has a molecular weight of 429.85 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(Z)-2-(4-chlorophenyl)-1-fluoroethenoxy]phenoxy]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 68766127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).