2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C11H7ClFN3O3S — CID 2963114

IUPAC2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H7ClFN3O3S/c12-7-2-1-3-8(13)6(7)4-9(17)15-11-14-5-10(20-11)16(18)19/h1-3,5H,4H2,(H,14,15,17)
InChIKeyNXKIMXJJWOXMMH-UHFFFAOYSA-N
MW315.71 g/mol
LogP3.03
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 2963114) has the molecular formula C11H7ClFN3O3S and a molecular weight of 315.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID2963114
Molecular FormulaC11H7ClFN3O3S
Molecular Weight315.71 g/mol
Exact Mass314.99
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H7ClFN3O3S/c12-7-2-1-3-8(13)6(7)4-9(17)15-11-14-5-10(20-11)16(18)19/h1-3,5H,4H2,(H,14,15,17)
InChIKeyNXKIMXJJWOXMMH-UHFFFAOYSA-N
XLogP3.03
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 2963114) is 2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is O=C(Cc1c(F)cccc1Cl)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is NXKIMXJJWOXMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O3S/c12-7-2-1-3-8(13)6(7)4-9(17)15-11-14-5-10(20-11)16(18)19/h1-3,5H,4H2,(H,14,15,17).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 315.71 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2963114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).