N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

C19H21FIN3 — CID 110984945

IUPACN-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NC1CC1c1ccccc1F)N1CCc2ccccc21.I
InChIInChI=1S/C19H20FN3.HI/c1-21-19(23-11-10-13-6-2-5-9-18(13)23)22-17-12-15(17)14-7-3-4-8-16(14)20;/h2-9,15,17H,10-12H2,1H3,(H,21,22);1H
InChIKeyFQVMQMGPENXQCH-UHFFFAOYSA-N
MW437.30 g/mol
LogP3.94
Rot. Bonds2

About N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984945) has the molecular formula C19H21FIN3 and a molecular weight of 437.30 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984945
Molecular FormulaC19H21FIN3
Molecular Weight437.30 g/mol
Exact Mass437.08
IUPAC NameN-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NC1CC1c1ccccc1F)N1CCc2ccccc21.I
InChIInChI=1S/C19H20FN3.HI/c1-21-19(23-11-10-13-6-2-5-9-18(13)23)22-17-12-15(17)14-7-3-4-8-16(14)20;/h2-9,15,17H,10-12H2,1H3,(H,21,22);1H
InChIKeyFQVMQMGPENXQCH-UHFFFAOYSA-N
XLogP3.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-(2-fluorophenyl)cyclopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133811
methyl 1-[N-[2-(2-fluorophenyl)cyclopropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252196
N-[2-(2-fluorophenyl)cyclopropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109488337
N-[2-(2-fluorophenyl)cyclopropyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290119
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111916040
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111916041
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983599
4-(2-fluorophenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111148397
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942222

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984945) is N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is C/N=C(\NC1CC1c1ccccc1F)N1CCc2ccccc21.I.
What is the InChIKey of N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is FQVMQMGPENXQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3.HI/c1-21-19(23-11-10-13-6-2-5-9-18(13)23)22-17-12-15(17)14-7-3-4-8-16(14)20;/h2-9,15,17H,10-12H2,1H3,(H,21,22);1H.
What are the key properties of N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 437.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)cyclopropyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).