N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide

C17H25FN4O — CID 109453680

IUPACN-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)Nc1cccc(F)c1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C17H25FN4O/c1-16(2)11-22(17(16,3)4)15(19-5)20-10-14(23)21-13-8-6-7-12(18)9-13/h6-9H,10-11H2,1-5H3,(H,19,20)(H,21,23)
InChIKeyKIQMZEOWLHKCKS-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.46
Rot. Bonds3

About N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide

N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide (PubChem CID 109453680) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
PubChem CID109453680
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC NameN-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)Nc1cccc(F)c1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C17H25FN4O/c1-16(2)11-22(17(16,3)4)15(19-5)20-10-14(23)21-13-8-6-7-12(18)9-13/h6-9H,10-11H2,1-5H3,(H,19,20)(H,21,23)
InChIKeyKIQMZEOWLHKCKS-UHFFFAOYSA-N
XLogP2.46
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
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

N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 109453679
2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-(3-fluorophenyl)acetamide
CID 119115845
N-(3-fluorophenyl)-2-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]acetamide
CID 110961227
2-[[C-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylcarbonimidoyl]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 110946849
N-(3-fluorophenyl)-2-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]acetamide;hydroiodide
CID 111148742
N-(3-fluorophenyl)-2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109435541
N-(3-fluorophenyl)-2-[[N-methyl-C-[3-(2-methylpropyl)pyrrolidin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 111734790
N-(3-fluorophenyl)-2-[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 111743040
N-(3-fluorophenyl)-2-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]acetamide
CID 111416777
N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109451887
N-(3-fluorophenyl)-2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110981152
2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide
CID 109452294

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide (CID 109453680) is N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide is C/N=C(\NCC(=O)Nc1cccc(F)c1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
The InChIKey is KIQMZEOWLHKCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-16(2)11-22(17(16,3)4)15(19-5)20-10-14(23)21-13-8-6-7-12(18)9-13/h6-9H,10-11H2,1-5H3,(H,19,20)(H,21,23).
What are the key properties of N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide has a molecular weight of 320.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide is sourced from PubChem (CID 109453680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).