2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C14H14FN3O3S — CID 31667761

IUPAC2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C14H14FN3O3S/c1-9(13-3-2-6-22-13)17-14(19)8-16-10-4-5-11(15)12(7-10)18(20)21/h2-7,9,16H,8H2,1H3,(H,17,19)/t9-/m1/s1
InChIKeyJOSUCFVZONXTQW-SECBINFHSA-N
MW323.35 g/mol
LogP3.08
Rot. Bonds6

About 2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 31667761) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID31667761
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Name2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C14H14FN3O3S/c1-9(13-3-2-6-22-13)17-14(19)8-16-10-4-5-11(15)12(7-10)18(20)21/h2-7,9,16H,8H2,1H3,(H,17,19)/t9-/m1/s1
InChIKeyJOSUCFVZONXTQW-SECBINFHSA-N
XLogP3.08
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 43399300
2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 104699258
2-(5-fluoro-2-nitrophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 78484094
2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7438328
2-(4-fluoro-3-nitroanilino)-N-propylacetamide
CID 32897607
N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 86908674
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46695161
2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9099829
N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 2656438
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-fluoro-N-(2-methylbutyl)-3-nitroaniline
CID 43719224

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 31667761) is 2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide is C[C@@H](NC(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1cccs1.
What is the InChIKey of 2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is JOSUCFVZONXTQW-SECBINFHSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-9(13-3-2-6-22-13)17-14(19)8-16-10-4-5-11(15)12(7-10)18(20)21/h2-7,9,16H,8H2,1H3,(H,17,19)/t9-/m1/s1.
What are the key properties of 2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 31667761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).