2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide

C12H11FN2OS — CID 62075015

IUPAC2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESNc1cc(F)ccc1C(=O)NCc1cccs1
InChIInChI=1S/C12H11FN2OS/c13-8-3-4-10(11(14)6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7,14H2,(H,15,16)
InChIKeyULQGRZYSGMERTJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide

2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 62075015) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID62075015
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESNc1cc(F)ccc1C(=O)NCc1cccs1
InChIInChI=1S/C12H11FN2OS/c13-8-3-4-10(11(14)6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7,14H2,(H,15,16)
InChIKeyULQGRZYSGMERTJ-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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Related Compounds

2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821335
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821336
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-amino-4-fluorobenzoate
CID 24501401
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721
2-amino-4-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 63110385
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-bromo-4-fluorobenzoate
CID 8837401
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
CID 61093192

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide (CID 62075015) is 2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide is Nc1cc(F)ccc1C(=O)NCc1cccs1.
What is the InChIKey of 2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ULQGRZYSGMERTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-8-3-4-10(11(14)6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7,14H2,(H,15,16).
What are the key properties of 2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide?
2-amino-4-fluoro-N-(thiophen-2-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-4-fluoro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 62075015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).