5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide

C15H16ClFN2OS — CID 47024534

IUPAC5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide
SMILESCN(C)C(CNC(=O)c1cc(Cl)ccc1F)c1ccsc1
InChIInChI=1S/C15H16ClFN2OS/c1-19(2)14(10-5-6-21-9-10)8-18-15(20)12-7-11(16)3-4-13(12)17/h3-7,9,14H,8H2,1-2H3,(H,18,20)
InChIKeyAXTJWNSAYQCXQE-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.57
Rot. Bonds5

About 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide

5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide (PubChem CID 47024534) has the molecular formula C15H16ClFN2OS and a molecular weight of 326.82 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide
PubChem CID47024534
Molecular FormulaC15H16ClFN2OS
Molecular Weight326.82 g/mol
Exact Mass326.07
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide
SMILESCN(C)C(CNC(=O)c1cc(Cl)ccc1F)c1ccsc1
InChIInChI=1S/C15H16ClFN2OS/c1-19(2)14(10-5-6-21-9-10)8-18-15(20)12-7-11(16)3-4-13(12)17/h3-7,9,14H,8H2,1-2H3,(H,18,20)
InChIKeyAXTJWNSAYQCXQE-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide (CID 47024534) is 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide is CN(C)C(CNC(=O)c1cc(Cl)ccc1F)c1ccsc1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide?
The InChIKey is AXTJWNSAYQCXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2OS/c1-19(2)14(10-5-6-21-9-10)8-18-15(20)12-7-11(16)3-4-13(12)17/h3-7,9,14H,8H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide?
5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide has a molecular weight of 326.82 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzamide is sourced from PubChem (CID 47024534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).