N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide

C10H12FN5 — CID 103496995

IUPACN-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCc2ccc(F)cc21
InChIInChI=1S/C10H12FN5/c11-7-2-1-6-3-4-16(8(6)5-7)10(14)15-9(12)13/h1-2,5H,3-4H2,(H5,12,13,14,15)
InChIKeySVQZJXHCVCPIEB-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.40
Rot. Bonds

About N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide

N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide (PubChem CID 103496995) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide
PubChem CID103496995
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC NameN-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCc2ccc(F)cc21
InChIInChI=1S/C10H12FN5/c11-7-2-1-6-3-4-16(8(6)5-7)10(14)15-9(12)13/h1-2,5H,3-4H2,(H5,12,13,14,15)
InChIKeySVQZJXHCVCPIEB-UHFFFAOYSA-N
XLogP0.40
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
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

1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine
CID 103503764
N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
CID 103496998
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
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119310117
(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493823
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide
CID 103501035
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228439
N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
CID 103504865

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide (CID 103496995) is N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCc2ccc(F)cc21.
What is the InChIKey of N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide?
The InChIKey is SVQZJXHCVCPIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c11-7-2-1-6-3-4-16(8(6)5-7)10(14)15-9(12)13/h1-2,5H,3-4H2,(H5,12,13,14,15).
What are the key properties of N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide?
N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide has a molecular weight of 221.24 g/mol, XLogP of 0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-6-fluoro-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 103496995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).