2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide

C17H11Cl2FN2O2S — CID 59402894

IUPAC2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)cc3)cs2)c1Cl
InChIInChI=1S/C17H11Cl2FN2O2S/c18-10-3-1-9(2-4-10)12-8-25-14(22-12)7-24-13-6-5-11(20)15(16(13)19)17(21)23/h1-6,8H,7H2,(H2,21,23)
InChIKeyOMKJSDKLCDFNNL-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.93
Rot. Bonds5

About 2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide

2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide (PubChem CID 59402894) has the molecular formula C17H11Cl2FN2O2S and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide
PubChem CID59402894
Molecular FormulaC17H11Cl2FN2O2S
Molecular Weight397.26 g/mol
Exact Mass395.99
IUPAC Name2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)cc3)cs2)c1Cl
InChIInChI=1S/C17H11Cl2FN2O2S/c18-10-3-1-9(2-4-10)12-8-25-14(22-12)7-24-13-6-5-11(20)15(16(13)19)17(21)23/h1-6,8H,7H2,(H2,21,23)
InChIKeyOMKJSDKLCDFNNL-UHFFFAOYSA-N
XLogP4.93
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide?
The IUPAC name of 2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide (CID 59402894) is 2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide is NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)cc3)cs2)c1Cl.
What is the InChIKey of 2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide?
The InChIKey is OMKJSDKLCDFNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN2O2S/c18-10-3-1-9(2-4-10)12-8-25-14(22-12)7-24-13-6-5-11(20)15(16(13)19)17(21)23/h1-6,8H,7H2,(H2,21,23).
What are the key properties of 2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide?
2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide has a molecular weight of 397.26 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-6-fluorobenzamide is sourced from PubChem (CID 59402894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).