4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide

C17H12ClFN2OS — CID 59672787

IUPAC4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C17H12ClFN2OS/c18-14-4-1-7-20-16(14)11-5-6-13(15(19)9-11)17(22)21-10-12-3-2-8-23-12/h1-9H,10H2,(H,21,22)
InChIKeyXIJIIHBLTWXGBB-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.53
Rot. Bonds4

About 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide

4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 59672787) has the molecular formula C17H12ClFN2OS and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID59672787
Molecular FormulaC17H12ClFN2OS
Molecular Weight346.81 g/mol
Exact Mass346.03
IUPAC Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C17H12ClFN2OS/c18-14-4-1-7-20-16(14)11-5-6-13(15(19)9-11)17(22)21-10-12-3-2-8-23-12/h1-9H,10H2,(H,21,22)
InChIKeyXIJIIHBLTWXGBB-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (CID 59672787) is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(-c2ncccc2Cl)cc1F.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is XIJIIHBLTWXGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2OS/c18-14-4-1-7-20-16(14)11-5-6-13(15(19)9-11)17(22)21-10-12-3-2-8-23-12/h1-9H,10H2,(H,21,22).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 346.81 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 59672787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).