N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide

C18H14ClFN2OS — CID 1175983

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H14ClFN2OS/c1-2-22(17(23)14-5-3-4-6-15(14)20)18-21-16(11-24-18)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3
InChIKeyPOVUBCBGOMDFDQ-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.27
Rot. Bonds4

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide (PubChem CID 1175983) has the molecular formula C18H14ClFN2OS and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide
PubChem CID1175983
Molecular FormulaC18H14ClFN2OS
Molecular Weight360.84 g/mol
Exact Mass360.05
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H14ClFN2OS/c1-2-22(17(23)14-5-3-4-6-15(14)20)18-21-16(11-24-18)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3
InChIKeyPOVUBCBGOMDFDQ-UHFFFAOYSA-N
XLogP5.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide (CID 1175983) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide is CCN(C(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide?
The InChIKey is POVUBCBGOMDFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2OS/c1-2-22(17(23)14-5-3-4-6-15(14)20)18-21-16(11-24-18)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3.
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide has a molecular weight of 360.84 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 1175983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).