4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide

C15H14FN3 — CID 55050286

IUPAC4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2Cc3ccccc3C2)c(F)c1
InChIInChI=1S/C15H14FN3/c16-13-7-10(15(17)18)5-6-14(13)19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-9H2,(H3,17,18)
InChIKeyCCRADPOFRNFMFA-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.63
Rot. Bonds2

About 4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide

4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide (PubChem CID 55050286) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide
PubChem CID55050286
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2Cc3ccccc3C2)c(F)c1
InChIInChI=1S/C15H14FN3/c16-13-7-10(15(17)18)5-6-14(13)19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-9H2,(H3,17,18)
InChIKeyCCRADPOFRNFMFA-UHFFFAOYSA-N
XLogP2.63
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-fluorobenzenecarboximidamide
CID 63192924
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66391530
4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
CID 61433267
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493
3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253607
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide
CID 61441546
3-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625734
4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide
CID 43658320
3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417637
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
CID 43185472
4-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-fluorobenzenecarboximidamide
CID 81096252

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide (CID 55050286) is 4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2Cc3ccccc3C2)c(F)c1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide?
The InChIKey is CCRADPOFRNFMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-13-7-10(15(17)18)5-6-14(13)19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-9H2,(H3,17,18).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide?
4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide has a molecular weight of 255.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 55050286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).