4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide

C24H23FN4 — CID 143629632

IUPAC4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide
SMILES[H]/N=C/N=C(\N)c1ccc(-c2cccc(CNC3Cc4ccccc4C3)c2F)cc1
InChIInChI=1S/C24H23FN4/c25-23-20(14-28-21-12-18-4-1-2-5-19(18)13-21)6-3-7-22(23)16-8-10-17(11-9-16)24(27)29-15-26/h1-11,15,21,28H,12-14H2,(H3,26,27,29)
InChIKeyWTWOCTQHAAPFEF-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.06
Rot. Bonds6

About 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide

4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide (PubChem CID 143629632) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide
PubChem CID143629632
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide
SMILES[H]/N=C/N=C(\N)c1ccc(-c2cccc(CNC3Cc4ccccc4C3)c2F)cc1
InChIInChI=1S/C24H23FN4/c25-23-20(14-28-21-12-18-4-1-2-5-19(18)13-21)6-3-7-22(23)16-8-10-17(11-9-16)24(27)29-15-26/h1-11,15,21,28H,12-14H2,(H3,26,27,29)
InChIKeyWTWOCTQHAAPFEF-UHFFFAOYSA-N
XLogP4.06
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide 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

4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride
CID 68603662
3-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,4-difluorophenyl]-N'-methanimidoylbenzenecarboximidamide
CID 143629536
N-[[2-fluoro-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 59316538
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride
CID 68604408
2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
CID 59316490
3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
CID 24945882
4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide
CID 58276377
3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 87512737
4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide
CID 24945881
2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide
CID 68603565
3-amino-4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzaldehyde
CID 123246002
N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine
CID 114487622

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide?
The IUPAC name of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide (CID 143629632) is 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide.
What is the SMILES notation for 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide?
The canonical SMILES for 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide is [H]/N=C/N=C(\N)c1ccc(-c2cccc(CNC3Cc4ccccc4C3)c2F)cc1.
What is the InChIKey of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide?
The InChIKey is WTWOCTQHAAPFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c25-23-20(14-28-21-12-18-4-1-2-5-19(18)13-21)6-3-7-22(23)16-8-10-17(11-9-16)24(27)29-15-26/h1-11,15,21,28H,12-14H2,(H3,26,27,29).
What are the key properties of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide?
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide has a molecular weight of 386.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]-N'-methanimidoylbenzenecarboximidamide is sourced from PubChem (CID 143629632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).