N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide

C22H19ClFNO3 — CID 100573365

IUPACN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C22H19ClFNO3/c1-27-18-3-2-4-19(14-18)28-21-11-8-16(23)13-20(21)25-22(26)12-7-15-5-9-17(24)10-6-15/h2-6,8-11,13-14H,7,12H2,1H3,(H,25,26)
InChIKeyPKWDTPDQMRJTCG-UHFFFAOYSA-N
MW399.85 g/mol
LogP5.85
Rot. Bonds7

About N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide

N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide (PubChem CID 100573365) has the molecular formula C22H19ClFNO3 and a molecular weight of 399.85 g/mol. Its IUPAC name is N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
PubChem CID100573365
Molecular FormulaC22H19ClFNO3
Molecular Weight399.85 g/mol
Exact Mass399.10
IUPAC NameN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C22H19ClFNO3/c1-27-18-3-2-4-19(14-18)28-21-11-8-16(23)13-20(21)25-22(26)12-7-15-5-9-17(24)10-6-15/h2-6,8-11,13-14H,7,12H2,1H3,(H,25,26)
InChIKeyPKWDTPDQMRJTCG-UHFFFAOYSA-N
XLogP5.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.85
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-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

N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
CID 100665009
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide
CID 100655365
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
CID 100614872
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758535
N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 1006992
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide
CID 35425039

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide (CID 100573365) is N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide is COc1cccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(F)cc2)c1.
What is the InChIKey of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is PKWDTPDQMRJTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFNO3/c1-27-18-3-2-4-19(14-18)28-21-11-8-16(23)13-20(21)25-22(26)12-7-15-5-9-17(24)10-6-15/h2-6,8-11,13-14H,7,12H2,1H3,(H,25,26).
What are the key properties of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide?
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 399.85 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 100573365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).