2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide

C12H11FN2OS — CID 63248198

IUPAC2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
SMILESNc1ccc(F)cc1C(=O)NCc1ccsc1
InChIInChI=1S/C12H11FN2OS/c13-9-1-2-11(14)10(5-9)12(16)15-6-8-3-4-17-7-8/h1-5,7H,6,14H2,(H,15,16)
InChIKeyQNSUFOAXZBRGSM-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide

2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 63248198) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID63248198
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
SMILESNc1ccc(F)cc1C(=O)NCc1ccsc1
InChIInChI=1S/C12H11FN2OS/c13-9-1-2-11(14)10(5-9)12(16)15-6-8-3-4-17-7-8/h1-5,7H,6,14H2,(H,15,16)
InChIKeyQNSUFOAXZBRGSM-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide (CID 63248198) is 2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide is Nc1ccc(F)cc1C(=O)NCc1ccsc1.
What is the InChIKey of 2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is QNSUFOAXZBRGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-9-1-2-11(14)10(5-9)12(16)15-6-8-3-4-17-7-8/h1-5,7H,6,14H2,(H,15,16).
What are the key properties of 2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide?
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 63248198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).