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

C13H12ClFN2OS — CID 103809483

IUPAC3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
SMILESNc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1F
InChIInChI=1S/C13H12ClFN2OS/c14-12-4-2-9(19-12)5-6-17-13(18)8-1-3-10(15)11(16)7-8/h1-4,7H,5-6,16H2,(H,17,18)
InChIKeyLUZMQLJOMNURCS-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.10
Rot. Bonds4

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

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide (PubChem CID 103809483) has the molecular formula C13H12ClFN2OS and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
PubChem CID103809483
Molecular FormulaC13H12ClFN2OS
Molecular Weight298.77 g/mol
Exact Mass298.03
IUPAC Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
SMILESNc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1F
InChIInChI=1S/C13H12ClFN2OS/c14-12-4-2-9(19-12)5-6-17-13(18)8-1-3-10(15)11(16)7-8/h1-4,7H,5-6,16H2,(H,17,18)
InChIKeyLUZMQLJOMNURCS-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide
CID 106033258
3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 51091819
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 113236231
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
CID 106033391
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzamide
CID 61116554
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylsulfanyl-3-nitrobenzamide
CID 112834210
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
CID 115738037
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 106033230

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide (CID 103809483) is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide is Nc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1F.
What is the InChIKey of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide?
The InChIKey is LUZMQLJOMNURCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2OS/c14-12-4-2-9(19-12)5-6-17-13(18)8-1-3-10(15)11(16)7-8/h1-4,7H,5-6,16H2,(H,17,18).
What are the key properties of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide?
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide has a molecular weight of 298.77 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 103809483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).