2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

C17H17ClFNO2S — CID 30943710

IUPAC2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFNO2S/c18-12-3-1-4-13(19)15(12)16(21)20-11-17(6-8-22-9-7-17)14-5-2-10-23-14/h1-5,10H,6-9,11H2,(H,20,21)
InChIKeyXXUHYGWDKHHPMT-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (PubChem CID 30943710) has the molecular formula C17H17ClFNO2S and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
PubChem CID30943710
Molecular FormulaC17H17ClFNO2S
Molecular Weight353.85 g/mol
Exact Mass353.07
IUPAC Name2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFNO2S/c18-12-3-1-4-13(19)15(12)16(21)20-11-17(6-8-22-9-7-17)14-5-2-10-23-14/h1-5,10H,6-9,11H2,(H,20,21)
InChIKeyXXUHYGWDKHHPMT-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]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 2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (CID 30943710) is 2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is O=C(NCC1(c2cccs2)CCOCC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The InChIKey is XXUHYGWDKHHPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2S/c18-12-3-1-4-13(19)15(12)16(21)20-11-17(6-8-22-9-7-17)14-5-2-10-23-14/h1-5,10H,6-9,11H2,(H,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide has a molecular weight of 353.85 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 30943710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).