N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide

C12H11FN2OS — CID 81314024

IUPACN-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide
SMILESNc1cccc(F)c1NC(=O)Cc1ccsc1
InChIInChI=1S/C12H11FN2OS/c13-9-2-1-3-10(14)12(9)15-11(16)6-8-4-5-17-7-8/h1-5,7H,6,14H2,(H,15,16)
InChIKeyYATFKQVWNQRMML-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.65
Rot. Bonds3

About N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide

N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide (PubChem CID 81314024) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide
PubChem CID81314024
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide
SMILESNc1cccc(F)c1NC(=O)Cc1ccsc1
InChIInChI=1S/C12H11FN2OS/c13-9-2-1-3-10(14)12(9)15-11(16)6-8-4-5-17-7-8/h1-5,7H,6,14H2,(H,15,16)
InChIKeyYATFKQVWNQRMML-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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

N-(2-amino-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 43152262
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610869
N-(2-amino-6-fluorophenyl)-2-methylbutanamide
CID 81314159
N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 2603904
3-amino-4-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 63117130
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
3-bromo-2-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 55176730
[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191676
N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide
CID 82862101
1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
CID 114559851
N-(2-amino-6-fluorophenyl)-4-ethylbenzamide
CID 81313700

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide (CID 81314024) is N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide is Nc1cccc(F)c1NC(=O)Cc1ccsc1.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide?
The InChIKey is YATFKQVWNQRMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-9-2-1-3-10(14)12(9)15-11(16)6-8-4-5-17-7-8/h1-5,7H,6,14H2,(H,15,16).
What are the key properties of N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide?
N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide has a molecular weight of 250.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 81314024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).