N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide

C18H12F2N2O4S — CID 19501025

IUPACN-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cc(COc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C18H12F2N2O4S/c19-12-5-6-13(20)14(8-12)21-18(23)17-7-11(10-27-17)9-26-16-4-2-1-3-15(16)22(24)25/h1-8,10H,9H2,(H,21,23)
InChIKeyXKAFLILAROMVJH-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.77
Rot. Bonds6

About N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide

N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19501025) has the molecular formula C18H12F2N2O4S and a molecular weight of 390.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19501025
Molecular FormulaC18H12F2N2O4S
Molecular Weight390.37 g/mol
Exact Mass390.05
IUPAC NameN-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cc(COc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C18H12F2N2O4S/c19-12-5-6-13(20)14(8-12)21-18(23)17-7-11(10-27-17)9-26-16-4-2-1-3-15(16)22(24)25/h1-8,10H,9H2,(H,21,23)
InChIKeyXKAFLILAROMVJH-UHFFFAOYSA-N
XLogP4.77
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.77
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-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501024
N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469689
N-(3-chlorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501054
N-(1-ethyl-3-methylpyrazol-4-yl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501098
N-(4-chloro-2-nitrophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493194
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460
N-(2-chloro-5-nitrophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495064
4-[(4-fluoro-2-nitrophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620593
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626465
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-[(2-nitrophenoxy)methyl]thiophen-2-yl]methanone
CID 19501052
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19469618
N-(2,5-difluorophenyl)-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19496597

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide (CID 19501025) is N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide is O=C(Nc1cc(F)ccc1F)c1cc(COc2ccccc2[N+](=O)[O-])cs1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is XKAFLILAROMVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O4S/c19-12-5-6-13(20)14(8-12)21-18(23)17-7-11(10-27-17)9-26-16-4-2-1-3-15(16)22(24)25/h1-8,10H,9H2,(H,21,23).
What are the key properties of N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide?
N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19501025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).