2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

C15H14ClFN2OS — CID 110716155

IUPAC2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(c1c(F)cccc1Cl)N(CCc1nccs1)C1CC1
InChIInChI=1S/C15H14ClFN2OS/c16-11-2-1-3-12(17)14(11)15(20)19(10-4-5-10)8-6-13-18-7-9-21-13/h1-3,7,9-10H,4-6,8H2
InChIKeyBBZJZIXTISXGBC-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.78
Rot. Bonds5

About 2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110716155) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110716155
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(c1c(F)cccc1Cl)N(CCc1nccs1)C1CC1
InChIInChI=1S/C15H14ClFN2OS/c16-11-2-1-3-12(17)14(11)15(20)19(10-4-5-10)8-6-13-18-7-9-21-13/h1-3,7,9-10H,4-6,8H2
InChIKeyBBZJZIXTISXGBC-UHFFFAOYSA-N
XLogP3.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 110716155) is 2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is O=C(c1c(F)cccc1Cl)N(CCc1nccs1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is BBZJZIXTISXGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-11-2-1-3-12(17)14(11)15(20)19(10-4-5-10)8-6-13-18-7-9-21-13/h1-3,7,9-10H,4-6,8H2.
What are the key properties of 2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 324.81 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110716155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).