3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide

C23H23ClFN3O2S — CID 66678322

IUPAC3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C23H23ClFN3O2S/c1-15(13-28-4-6-30-7-5-28)27-23(29)18-9-16(20-3-2-19(25)11-21(20)24)8-17(10-18)22-12-26-14-31-22/h2-3,8-12,14-15H,4-7,13H2,1H3,(H,27,29)
InChIKeyCJTGXANOPXDBND-UHFFFAOYSA-N
MW459.97 g/mol
LogP4.72
Rot. Bonds6

About 3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide

3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide (PubChem CID 66678322) has the molecular formula C23H23ClFN3O2S and a molecular weight of 459.97 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide
PubChem CID66678322
Molecular FormulaC23H23ClFN3O2S
Molecular Weight459.97 g/mol
Exact Mass459.12
IUPAC Name3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C23H23ClFN3O2S/c1-15(13-28-4-6-30-7-5-28)27-23(29)18-9-16(20-3-2-19(25)11-21(20)24)8-17(10-18)22-12-26-14-31-22/h2-3,8-12,14-15H,4-7,13H2,1H3,(H,27,29)
InChIKeyCJTGXANOPXDBND-UHFFFAOYSA-N
XLogP4.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide (CID 66678322) is 3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide is CC(CN1CCOCC1)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2Cl)c1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide?
The InChIKey is CJTGXANOPXDBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O2S/c1-15(13-28-4-6-30-7-5-28)27-23(29)18-9-16(20-3-2-19(25)11-21(20)24)8-17(10-18)22-12-26-14-31-22/h2-3,8-12,14-15H,4-7,13H2,1H3,(H,27,29).
What are the key properties of 3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide?
3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide has a molecular weight of 459.97 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 66678322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).