7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide

C15H16FN3 — CID 155408420

IUPAC7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
SMILESC/N=C(\N)N1CC(C)c2c1ccc1cc(F)ccc21
InChIInChI=1S/C15H16FN3/c1-9-8-19(15(17)18-2)13-6-3-10-7-11(16)4-5-12(10)14(9)13/h3-7,9H,8H2,1-2H3,(H2,17,18)
InChIKeyRNUHBMCEAOPMCB-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.85
Rot. Bonds

About 7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide

7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide (PubChem CID 155408420) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide.

Molecular Properties

Compound Name7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
PubChem CID155408420
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
SMILESC/N=C(\N)N1CC(C)c2c1ccc1cc(F)ccc21
InChIInChI=1S/C15H16FN3/c1-9-8-19(15(17)18-2)13-6-3-10-7-11(16)4-5-12(10)14(9)13/h3-7,9H,8H2,1-2H3,(H2,17,18)
InChIKeyRNUHBMCEAOPMCB-UHFFFAOYSA-N
XLogP2.85
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.85
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'}

Analyze 7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The IUPAC name of 7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide (CID 155408420) is 7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide.
What is the SMILES notation for 7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The canonical SMILES for 7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide is C/N=C(\N)N1CC(C)c2c1ccc1cc(F)ccc21.
What is the InChIKey of 7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The InChIKey is RNUHBMCEAOPMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c1-9-8-19(15(17)18-2)13-6-3-10-7-11(16)4-5-12(10)14(9)13/h3-7,9H,8H2,1-2H3,(H2,17,18).
What are the key properties of 7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide has a molecular weight of 257.31 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N',1-dimethyl-1,2-dihydrobenzo[e]indole-3-carboximidamide is sourced from PubChem (CID 155408420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).