2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide

C18H19FN4O4 — CID 9099810

IUPAC2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19FN4O4/c19-16-6-3-14(11-17(16)23(25)26)20-12-18(24)21-13-1-4-15(5-2-13)22-7-9-27-10-8-22/h1-6,11,20H,7-10,12H2,(H,21,24)
InChIKeyGSICPYQETVXLMG-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.62
Rot. Bonds6

About 2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide

2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 9099810) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID9099810
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19FN4O4/c19-16-6-3-14(11-17(16)23(25)26)20-12-18(24)21-13-1-4-15(5-2-13)22-7-9-27-10-8-22/h1-6,11,20H,7-10,12H2,(H,21,24)
InChIKeyGSICPYQETVXLMG-UHFFFAOYSA-N
XLogP2.62
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

2-Morpholin-4-yl-N-(4-nitro-phenyl)-acetamide
CID 2837466
(2,4-Dinitrophenyl)[2-(4-morpholinyl)ethyl]amine
CID 2853539
2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
CID 687269
N-[2-(morpholin-4-yl)-5-nitrophenyl]acetamide
CID 596194
4-(4-Fluorophenyl)-N-(2-nitrophenyl)-1-piperazineacetamide
CID 4160800
2-[[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-N-(3-nitrophenyl)acetamide
CID 2549212
N-(4-morpholinophenyl)-2,4-dinitroaniline
CID 2851974
N-(3-Nitro-phenyl)-2-[4-(3-phenyl-ureido)-piperidin-1-yl]-acetamide
CID 3220839
N-[3-fluoro-4-(4-methylpiperazino)phenyl]-2-morpholinoacetamide
CID 1489357
2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide
CID 3220836
N-(4-morpholinophenyl)-2,5-dinitroaniline
CID 3583855
2-(Morpholin-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2866550

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide (CID 9099810) is 2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is GSICPYQETVXLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c19-16-6-3-14(11-17(16)23(25)26)20-12-18(24)21-13-1-4-15(5-2-13)22-7-9-27-10-8-22/h1-6,11,20H,7-10,12H2,(H,21,24).
What are the key properties of 2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 374.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-nitroanilino)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 9099810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).