3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide

C15H14ClFN2O2S — CID 51091819

IUPAC3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1F
InChIInChI=1S/C15H14ClFN2O2S/c1-9(20)19-13-8-10(2-4-12(13)17)15(21)18-7-6-11-3-5-14(16)22-11/h2-5,8H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyQIKBTUQDLPTKOP-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.47
Rot. Bonds5

About 3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide

3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide (PubChem CID 51091819) has the molecular formula C15H14ClFN2O2S and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
PubChem CID51091819
Molecular FormulaC15H14ClFN2O2S
Molecular Weight340.81 g/mol
Exact Mass340.04
IUPAC Name3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1F
InChIInChI=1S/C15H14ClFN2O2S/c1-9(20)19-13-8-10(2-4-12(13)17)15(21)18-7-6-11-3-5-14(16)22-11/h2-5,8H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyQIKBTUQDLPTKOP-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
CID 119506215
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 113236231
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119506214
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylsulfanyl-3-nitrobenzamide
CID 112834210
3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride
CID 119496404
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide
CID 106033258

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of 3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide (CID 51091819) is 3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide is CC(=O)Nc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1F.
What is the InChIKey of 3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide?
The InChIKey is QIKBTUQDLPTKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2S/c1-9(20)19-13-8-10(2-4-12(13)17)15(21)18-7-6-11-3-5-14(16)22-11/h2-5,8H,6-7H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide?
3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide has a molecular weight of 340.81 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 51091819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).