3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide

C24H18Cl2N2O2S — CID 108811086

IUPAC3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESO=C(CCOc1ccccc1Cl)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H18Cl2N2O2S/c25-18-9-5-17(6-10-18)24-28-21(15-31-24)16-7-11-19(12-8-16)27-23(29)13-14-30-22-4-2-1-3-20(22)26/h1-12,15H,13-14H2,(H,27,29)
InChIKeyNAINNLASMAHMIY-UHFFFAOYSA-N
MW469.39 g/mol
LogP7.19
Rot. Bonds7

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

3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 108811086) has the molecular formula C24H18Cl2N2O2S and a molecular weight of 469.39 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID108811086
Molecular FormulaC24H18Cl2N2O2S
Molecular Weight469.39 g/mol
Exact Mass468.05
IUPAC Name3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESO=C(CCOc1ccccc1Cl)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H18Cl2N2O2S/c25-18-9-5-17(6-10-18)24-28-21(15-31-24)16-7-11-19(12-8-16)27-23(29)13-14-30-22-4-2-1-3-20(22)26/h1-12,15H,13-14H2,(H,27,29)
InChIKeyNAINNLASMAHMIY-UHFFFAOYSA-N
XLogP7.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.39
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108802336
2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748184
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide
CID 108748251
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108811093
2-(2,4-dichlorophenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770123
2-(2-chlorophenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795729
4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751489

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide (CID 108811086) is 3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide is O=C(CCOc1ccccc1Cl)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is NAINNLASMAHMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O2S/c25-18-9-5-17(6-10-18)24-28-21(15-31-24)16-7-11-19(12-8-16)27-23(29)13-14-30-22-4-2-1-3-20(22)26/h1-12,15H,13-14H2,(H,27,29).
What are the key properties of 3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide?
3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 469.39 g/mol, XLogP of 7.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 108811086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).