2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide

C19H30FIN4O — CID 109452294

IUPAC2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESC/N=C(\NCCNC(=O)Cc1ccc(F)cc1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C19H29FN4O.HI/c1-18(2)13-24(19(18,3)4)17(21-5)23-11-10-22-16(25)12-14-6-8-15(20)9-7-14;/h6-9H,10-13H2,1-5H3,(H,21,23)(H,22,25);1H
InChIKeyDRNKVXYMNLSCSR-UHFFFAOYSA-N
MW476.38 g/mol
LogP2.80
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide

2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide (PubChem CID 109452294) has the molecular formula C19H30FIN4O and a molecular weight of 476.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide
PubChem CID109452294
Molecular FormulaC19H30FIN4O
Molecular Weight476.38 g/mol
Exact Mass476.14
IUPAC Name2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESC/N=C(\NCCNC(=O)Cc1ccc(F)cc1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C19H29FN4O.HI/c1-18(2)13-24(19(18,3)4)17(21-5)23-11-10-22-16(25)12-14-6-8-15(20)9-7-14;/h6-9H,10-13H2,1-5H3,(H,21,23)(H,22,25);1H
InChIKeyDRNKVXYMNLSCSR-UHFFFAOYSA-N
XLogP2.80
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109452688
N-[2-(2,4-difluorophenyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452906
N-[2-(3,5-difluorophenyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453949
N-[2-(4-methoxyphenyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452664
2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]acetamide
CID 111145258
3-methyl-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]benzamide
CID 109454180
N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 109453679
methyl 4-[[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]methyl]benzoate;hydroiodide
CID 109451908
N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109453680
N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 109485082
N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453353
N-benzyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109451915

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide (CID 109452294) is 2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide is C/N=C(\NCCNC(=O)Cc1ccc(F)cc1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide?
The InChIKey is DRNKVXYMNLSCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O.HI/c1-18(2)13-24(19(18,3)4)17(21-5)23-11-10-22-16(25)12-14-6-8-15(20)9-7-14;/h6-9H,10-13H2,1-5H3,(H,21,23)(H,22,25);1H.
What are the key properties of 2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide?
2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide has a molecular weight of 476.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 109452294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).