N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide

C16H18FN3 — CID 155408482

IUPACN'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
SMILESCC1CN(/C(N)=N/CCF)c2ccc3ccccc3c21
InChIInChI=1S/C16H18FN3/c1-11-10-20(16(18)19-9-8-17)14-7-6-12-4-2-3-5-13(12)15(11)14/h2-7,11H,8-10H2,1H3,(H2,18,19)
InChIKeyBZTMCIFTQYGWQB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.05
Rot. Bonds2

About N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide

N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide (PubChem CID 155408482) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide.

Molecular Properties

Compound NameN'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
PubChem CID155408482
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC NameN'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide
SMILESCC1CN(/C(N)=N/CCF)c2ccc3ccccc3c21
InChIInChI=1S/C16H18FN3/c1-11-10-20(16(18)19-9-8-17)14-7-6-12-4-2-3-5-13(12)15(11)14/h2-7,11H,8-10H2,1H3,(H2,18,19)
InChIKeyBZTMCIFTQYGWQB-UHFFFAOYSA-N
XLogP3.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The IUPAC name of N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide (CID 155408482) is N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide.
What is the SMILES notation for N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The canonical SMILES for N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide is CC1CN(/C(N)=N/CCF)c2ccc3ccccc3c21.
What is the InChIKey of N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
The InChIKey is BZTMCIFTQYGWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-11-10-20(16(18)19-9-8-17)14-7-6-12-4-2-3-5-13(12)15(11)14/h2-7,11H,8-10H2,1H3,(H2,18,19).
What are the key properties of N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide?
N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide has a molecular weight of 271.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide is sourced from PubChem (CID 155408482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).