2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide

C24H17Cl2FN2O2S — CID 121148583

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C24H17Cl2FN2O2S/c1-14(31-22-11-10-15(25)12-18(22)26)23(30)28-20-9-5-3-7-17(20)21-13-32-24(29-21)16-6-2-4-8-19(16)27/h2-14H,1H3,(H,28,30)
InChIKeyHBYFMHDKHSHNAH-UHFFFAOYSA-N
MW487.38 g/mol
LogP7.33
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide

2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 121148583) has the molecular formula C24H17Cl2FN2O2S and a molecular weight of 487.38 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID121148583
Molecular FormulaC24H17Cl2FN2O2S
Molecular Weight487.38 g/mol
Exact Mass486.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C24H17Cl2FN2O2S/c1-14(31-22-11-10-15(25)12-18(22)26)23(30)28-20-9-5-3-7-17(20)21-13-32-24(29-21)16-6-2-4-8-19(16)27/h2-14H,1H3,(H,28,30)
InChIKeyHBYFMHDKHSHNAH-UHFFFAOYSA-N
XLogP7.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.38
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 121148599
2-(2,4-dichlorophenoxy)-N-(3-fluoro-2-methylphenyl)propanamide
CID 2916938
2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2917163
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698
(2S)-2-(2,5-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 7269908
1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea
CID 121149602
2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748409
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
CID 1335501

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide (CID 121148583) is 2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is HBYFMHDKHSHNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN2O2S/c1-14(31-22-11-10-15(25)12-18(22)26)23(30)28-20-9-5-3-7-17(20)21-13-32-24(29-21)16-6-2-4-8-19(16)27/h2-14H,1H3,(H,28,30).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 487.38 g/mol, XLogP of 7.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 121148583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).