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

C13H19FN4O — CID 111089389

IUPAC2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
SMILESCC(C)(C)N/C(N)=N/CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H19FN4O/c1-13(2,3)18-12(15)16-8-11(19)17-10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3,(H,17,19)(H3,15,16,18)
InChIKeyAMEMNBMZWOJDEA-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.47
Rot. Bonds3

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

2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide (PubChem CID 111089389) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
PubChem CID111089389
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
SMILESCC(C)(C)N/C(N)=N/CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H19FN4O/c1-13(2,3)18-12(15)16-8-11(19)17-10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3,(H,17,19)(H3,15,16,18)
InChIKeyAMEMNBMZWOJDEA-UHFFFAOYSA-N
XLogP1.47
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.47
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(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 110917022
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 110965529
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089372
2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089429
tert-butyl 4-[N'-[2-(3-fluoroanilino)-2-oxoethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111089435
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089401
2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 110965527
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111044874
1-tert-butyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 62364401
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089441
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089411

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide (CID 111089389) is 2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide is CC(C)(C)N/C(N)=N/CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is AMEMNBMZWOJDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-13(2,3)18-12(15)16-8-11(19)17-10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3,(H,17,19)(H3,15,16,18).
What are the key properties of 2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide?
2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 111089389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).