N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide

C19H22FN3O — CID 111548721

IUPACN-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCC(OC)c1ccc(F)cc1)N1CCc2ccccc21
InChIInChI=1S/C19H22FN3O/c1-21-19(23-12-11-14-5-3-4-6-17(14)23)22-13-18(24-2)15-7-9-16(20)10-8-15/h3-10,18H,11-13H2,1-2H3,(H,21,22)
InChIKeyJATSIOLYJRSTAG-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide

N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 111548721) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
PubChem CID111548721
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCC(OC)c1ccc(F)cc1)N1CCc2ccccc21
InChIInChI=1S/C19H22FN3O/c1-21-19(23-12-11-14-5-3-4-6-17(14)23)22-13-18(24-2)15-7-9-16(20)10-8-15/h3-10,18H,11-13H2,1-2H3,(H,21,22)
InChIKeyJATSIOLYJRSTAG-UHFFFAOYSA-N
XLogP3.15
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide 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

N-(2-methoxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983389
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983599
N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116456
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984520
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984566
N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378141
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
methyl 5-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 110983814
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide
CID 110985146
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984480
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984479

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (CID 111548721) is N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCC(OC)c1ccc(F)cc1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is JATSIOLYJRSTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-21-19(23-12-11-14-5-3-4-6-17(14)23)22-13-18(24-2)15-7-9-16(20)10-8-15/h3-10,18H,11-13H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 327.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 111548721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).