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

C18H21FN4O2 — CID 111089343

IUPAC2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
SMILESCC(C)Oc1ccc(N/C(N)=N/CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN4O2/c1-12(2)25-16-9-7-15(8-10-16)23-18(20)21-11-17(24)22-14-5-3-13(19)4-6-14/h3-10,12H,11H2,1-2H3,(H,22,24)(H3,20,21,23)
InChIKeyJFHRFUXBRAMNTC-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.98
Rot. Bonds6

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

2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 111089343) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
PubChem CID111089343
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
SMILESCC(C)Oc1ccc(N/C(N)=N/CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN4O2/c1-12(2)25-16-9-7-15(8-10-16)23-18(20)21-11-17(24)22-14-5-3-13(19)4-6-14/h3-10,12H,11H2,1-2H3,(H,22,24)(H3,20,21,23)
InChIKeyJFHRFUXBRAMNTC-UHFFFAOYSA-N
XLogP2.98
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111040300
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089284
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 110919317
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089362
2-[2-(4-fluorophenoxy)propyl]-1-(4-methylphenyl)guanidine
CID 111820308
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-[2-(2,5-difluorophenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111600854
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089345
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111062051
2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089279

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide (CID 111089343) is 2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide is CC(C)Oc1ccc(N/C(N)=N/CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is JFHRFUXBRAMNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12(2)25-16-9-7-15(8-10-16)23-18(20)21-11-17(24)22-14-5-3-13(19)4-6-14/h3-10,12H,11H2,1-2H3,(H,22,24)(H3,20,21,23).
What are the key properties of 2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide?
2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 111089343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).