N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide

C12H14FN3 — CID 103496998

IUPACN'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
SMILESN/C(=N\C1CC1)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H14FN3/c13-9-2-1-8-5-6-16(11(8)7-9)12(14)15-10-3-4-10/h1-2,7,10H,3-6H2,(H2,14,15)
InChIKeyDMFMWGWRXBQQMS-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.67
Rot. Bonds1

About N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide

N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide (PubChem CID 103496998) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
PubChem CID103496998
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC NameN'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
SMILESN/C(=N\C1CC1)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H14FN3/c13-9-2-1-8-5-6-16(11(8)7-9)12(14)15-10-3-4-10/h1-2,7,10H,3-6H2,(H2,14,15)
InChIKeyDMFMWGWRXBQQMS-UHFFFAOYSA-N
XLogP1.67
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.67
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'}

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Related Compounds

N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide
CID 103496995
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606
[2-(aminomethyl)cyclopentyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103822177
(2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103810197
(6-fluoro-2,3-dihydroindol-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 103494882
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 113235710
1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 103500021
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide
CID 103501035
(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid
CID 103499981
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide (CID 103496998) is N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide is N/C(=N\C1CC1)N1CCc2ccc(F)cc21.
What is the InChIKey of N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide?
The InChIKey is DMFMWGWRXBQQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-9-2-1-8-5-6-16(11(8)7-9)12(14)15-10-3-4-10/h1-2,7,10H,3-6H2,(H2,14,15).
What are the key properties of N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide?
N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide has a molecular weight of 219.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 103496998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).