N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C17H13FN4O3S — CID 16896857

IUPACN-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C17H13FN4O3S/c18-13-7-6-12(8-15(13)22(24)25)20-16(23)10-26-17-19-9-14(21-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,21)(H,20,23)
InChIKeyBIXMFMAYAVADAD-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.85
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 16896857) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID16896857
Molecular FormulaC17H13FN4O3S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C17H13FN4O3S/c18-13-7-6-12(8-15(13)22(24)25)20-16(23)10-26-17-19-9-14(21-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,21)(H,20,23)
InChIKeyBIXMFMAYAVADAD-UHFFFAOYSA-N
XLogP3.85
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.85
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

N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 856403
N-(4-fluoro-3-nitrophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 137085002
N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577
N-(2-fluorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1116757
N-(4-fluoro-3-nitrophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936697
N-(3-bromophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 15989788
N-(4-methylsulfonylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35040321
N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 1118769
N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 27736272
N-(4-fluoro-3-nitrophenyl)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41282069
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 9212200
N-(2,6-dichlorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40604658

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 16896857) is N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is BIXMFMAYAVADAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c18-13-7-6-12(8-15(13)22(24)25)20-16(23)10-26-17-19-9-14(21-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,21)(H,20,23).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 372.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 16896857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).