N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide

C13H11FN2O4S — CID 18113604

IUPACN-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide
SMILESO=C(NCCOc1ccccc1F)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C13H11FN2O4S/c14-9-3-1-2-4-10(9)20-8-7-15-13(17)11-5-6-12(21-11)16(18)19/h1-6H,7-8H2,(H,15,17)
InChIKeyFXGSAGPQBKAESF-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.60
Rot. Bonds6

About N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide (PubChem CID 18113604) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide
PubChem CID18113604
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide
SMILESO=C(NCCOc1ccccc1F)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C13H11FN2O4S/c14-9-3-1-2-4-10(9)20-8-7-15-13(17)11-5-6-12(21-11)16(18)19/h1-6H,7-8H2,(H,15,17)
InChIKeyFXGSAGPQBKAESF-UHFFFAOYSA-N
XLogP2.60
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide
CID 41442761
N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide
CID 18113554
2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
CID 2227968
5-nitro-N-pent-4-ynylthiophene-2-carboxamide
CID 103709022
N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 54915737
5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide
CID 55889774
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
benzyl 2-[(5-nitrothiophene-2-carbonyl)amino]acetate
CID 26878197
N-(2-chloroprop-2-enyl)-5-nitrothiophene-2-carboxamide
CID 115636478
(E)-N-[2-(2-fluorophenoxy)ethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7927597
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide (CID 18113604) is N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide is O=C(NCCOc1ccccc1F)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide?
The InChIKey is FXGSAGPQBKAESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c14-9-3-1-2-4-10(9)20-8-7-15-13(17)11-5-6-12(21-11)16(18)19/h1-6H,7-8H2,(H,15,17).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 18113604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).