5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide

C13H11ClF2N2OS — CID 106033258

IUPAC5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide
SMILESNc1cc(C(=O)NCCc2ccc(Cl)s2)c(F)cc1F
InChIInChI=1S/C13H11ClF2N2OS/c14-12-2-1-7(20-12)3-4-18-13(19)8-5-11(17)10(16)6-9(8)15/h1-2,5-6H,3-4,17H2,(H,18,19)
InChIKeyHCRWECHLNXBPFT-UHFFFAOYSA-N
MW316.76 g/mol
LogP3.23
Rot. Bonds4

About 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide

5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide (PubChem CID 106033258) has the molecular formula C13H11ClF2N2OS and a molecular weight of 316.76 g/mol. Its IUPAC name is 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide
PubChem CID106033258
Molecular FormulaC13H11ClF2N2OS
Molecular Weight316.76 g/mol
Exact Mass316.02
IUPAC Name5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide
SMILESNc1cc(C(=O)NCCc2ccc(Cl)s2)c(F)cc1F
InChIInChI=1S/C13H11ClF2N2OS/c14-12-2-1-7(20-12)3-4-18-13(19)8-5-11(17)10(16)6-9(8)15/h1-2,5-6H,3-4,17H2,(H,18,19)
InChIKeyHCRWECHLNXBPFT-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 53.23
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

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
CID 106033391
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide
CID 106033320
2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 103882523
5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide
CID 61094642
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 106033230
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide
CID 103863673
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 51091819
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide (CID 106033258) is 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide is Nc1cc(C(=O)NCCc2ccc(Cl)s2)c(F)cc1F.
What is the InChIKey of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide?
The InChIKey is HCRWECHLNXBPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2OS/c14-12-2-1-7(20-12)3-4-18-13(19)8-5-11(17)10(16)6-9(8)15/h1-2,5-6H,3-4,17H2,(H,18,19).
What are the key properties of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide?
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide has a molecular weight of 316.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 106033258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).