N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide

C17H15FN4O5 — CID 4675786

IUPACN-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide
SMILESCC(C(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H15FN4O5/c1-10(16(24)20-13-5-3-2-4-12(13)18)17(25)21-19-9-11-6-7-15(23)14(8-11)22(26)27/h2-10,23H,1H3,(H,20,24)(H,21,25)
InChIKeyWWVJKRRUGMMGAB-UHFFFAOYSA-N
MW374.33 g/mol
LogP2.16
Rot. Bonds6

About N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide

N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide (PubChem CID 4675786) has the molecular formula C17H15FN4O5 and a molecular weight of 374.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide
PubChem CID4675786
Molecular FormulaC17H15FN4O5
Molecular Weight374.33 g/mol
Exact Mass374.10
IUPAC NameN-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide
SMILESCC(C(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H15FN4O5/c1-10(16(24)20-13-5-3-2-4-12(13)18)17(25)21-19-9-11-6-7-15(23)14(8-11)22(26)27/h2-10,23H,1H3,(H,20,24)(H,21,25)
InChIKeyWWVJKRRUGMMGAB-UHFFFAOYSA-N
XLogP2.16
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide
CID 135607564
N-(2-fluorophenyl)-N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813990
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 135821567
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(2-fluorophenyl)-2-methylpropanediamide
CID 135716679
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 137156037
2-ethyl-N,N'-bis[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 136803489
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135813958
1-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(2-methylphenyl)thiourea
CID 135731002
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813962
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813963
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide (CID 4675786) is N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide is CC(C(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide?
The InChIKey is WWVJKRRUGMMGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O5/c1-10(16(24)20-13-5-3-2-4-12(13)18)17(25)21-19-9-11-6-7-15(23)14(8-11)22(26)27/h2-10,23H,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide?
N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide has a molecular weight of 374.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-methylpropanediamide is sourced from PubChem (CID 4675786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).