N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide

C17H10F2N2O4S — CID 2765194

IUPACN-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1sccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H10F2N2O4S/c18-10-5-6-12(11(19)9-10)20-17(22)16-15(7-8-26-16)25-14-4-2-1-3-13(14)21(23)24/h1-9H,(H,20,22)
InChIKeyHKGNKXQMHNMFRP-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.98
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide

N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide (PubChem CID 2765194) has the molecular formula C17H10F2N2O4S and a molecular weight of 376.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide
PubChem CID2765194
Molecular FormulaC17H10F2N2O4S
Molecular Weight376.34 g/mol
Exact Mass376.03
IUPAC NameN-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1sccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H10F2N2O4S/c18-10-5-6-12(11(19)9-10)20-17(22)16-15(7-8-26-16)25-14-4-2-1-3-13(14)21(23)24/h1-9H,(H,20,22)
InChIKeyHKGNKXQMHNMFRP-UHFFFAOYSA-N
XLogP4.98
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.98
H-Bond Donors ≤ 51
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

N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide
CID 1487122
3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 47231630
N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
CID 4594147
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide
CID 139944390
N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 801149
4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide
CID 26681382
4-fluoro-2-(2-nitrophenoxy)benzoic acid
CID 107016486
3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid
CID 43214101
N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501025
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide (CID 2765194) is N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1sccc1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide?
The InChIKey is HKGNKXQMHNMFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2O4S/c18-10-5-6-12(11(19)9-10)20-17(22)16-15(7-8-26-16)25-14-4-2-1-3-13(14)21(23)24/h1-9H,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide?
N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide is sourced from PubChem (CID 2765194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).