2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide

C15H15FN4O — CID 110917022

IUPAC2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
SMILESN/C(=N\CC(=O)Nc1cccc(F)c1)Nc1ccccc1
InChIInChI=1S/C15H15FN4O/c16-11-5-4-8-13(9-11)19-14(21)10-18-15(17)20-12-6-2-1-3-7-12/h1-9H,10H2,(H,19,21)(H3,17,18,20)
InChIKeyHHGHBKZMRTVVHR-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.19
Rot. Bonds4

About 2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide

2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide (PubChem CID 110917022) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
PubChem CID110917022
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
SMILESN/C(=N\CC(=O)Nc1cccc(F)c1)Nc1ccccc1
InChIInChI=1S/C15H15FN4O/c16-11-5-4-8-13(9-11)19-14(21)10-18-15(17)20-12-6-2-1-3-7-12/h1-9H,10H2,(H,19,21)(H3,17,18,20)
InChIKeyHHGHBKZMRTVVHR-UHFFFAOYSA-N
XLogP2.19
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089389
2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089429
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089372
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073638
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide
CID 111073649
2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 119119654
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089401
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089441
1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine
CID 62379621

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide (CID 110917022) is 2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide is N/C(=N\CC(=O)Nc1cccc(F)c1)Nc1ccccc1.
What is the InChIKey of 2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is HHGHBKZMRTVVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-11-5-4-8-13(9-11)19-14(21)10-18-15(17)20-12-6-2-1-3-7-12/h1-9H,10H2,(H,19,21)(H3,17,18,20).
What are the key properties of 2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 286.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 110917022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).