2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide

C16H13ClFN3OS — CID 71797403

IUPAC2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide
SMILESCn1nc(CNC(=O)c2c(F)cccc2Cl)cc1-c1cccs1
InChIInChI=1S/C16H13ClFN3OS/c1-21-13(14-6-3-7-23-14)8-10(20-21)9-19-16(22)15-11(17)4-2-5-12(15)18/h2-8H,9H2,1H3,(H,19,22)
InChIKeyUTCAMCNWDCOWPX-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.87
Rot. Bonds4

About 2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide

2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide (PubChem CID 71797403) has the molecular formula C16H13ClFN3OS and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide
PubChem CID71797403
Molecular FormulaC16H13ClFN3OS
Molecular Weight349.82 g/mol
Exact Mass349.05
IUPAC Name2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide
SMILESCn1nc(CNC(=O)c2c(F)cccc2Cl)cc1-c1cccs1
InChIInChI=1S/C16H13ClFN3OS/c1-21-13(14-6-3-7-23-14)8-10(20-21)9-19-16(22)15-11(17)4-2-5-12(15)18/h2-8H,9H2,1H3,(H,19,22)
InChIKeyUTCAMCNWDCOWPX-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide (CID 71797403) is 2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide is Cn1nc(CNC(=O)c2c(F)cccc2Cl)cc1-c1cccs1.
What is the InChIKey of 2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide?
The InChIKey is UTCAMCNWDCOWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3OS/c1-21-13(14-6-3-7-23-14)8-10(20-21)9-19-16(22)15-11(17)4-2-5-12(15)18/h2-8H,9H2,1H3,(H,19,22).
What are the key properties of 2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide?
2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide has a molecular weight of 349.82 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71797403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).