2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide

C12H17FN4O — CID 111089279

IUPAC2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
SMILESCCCN/C(N)=N/CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN4O/c1-2-7-15-12(14)16-8-11(18)17-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,17,18)(H3,14,15,16)
InChIKeyJMFDHLWCGYYSSS-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.08
Rot. Bonds5

About 2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide

2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 111089279) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
PubChem CID111089279
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
SMILESCCCN/C(N)=N/CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN4O/c1-2-7-15-12(14)16-8-11(18)17-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,17,18)(H3,14,15,16)
InChIKeyJMFDHLWCGYYSSS-UHFFFAOYSA-N
XLogP1.08
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.08
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-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089284
2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089290
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 110919317
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089306
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-propylacetamide
CID 111032162
2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089343
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089372
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089362
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 110981151
2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089345

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide (CID 111089279) is 2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide is CCCN/C(N)=N/CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is JMFDHLWCGYYSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-2-7-15-12(14)16-8-11(18)17-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,17,18)(H3,14,15,16).
What are the key properties of 2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide?
2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 252.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 111089279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).