N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine

C14H9ClF2N2 — CID 162656025

IUPACN-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine
SMILESFc1ccc(Nc2ccc(F)c3[nH]ccc23)cc1Cl
InChIInChI=1S/C14H9ClF2N2/c15-10-7-8(1-2-11(10)16)19-13-4-3-12(17)14-9(13)5-6-18-14/h1-7,18-19H
InChIKeyKVNBHMGFSQZVIA-UHFFFAOYSA-N
MW278.69 g/mol
LogP4.84
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine

N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine (PubChem CID 162656025) has the molecular formula C14H9ClF2N2 and a molecular weight of 278.69 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine
PubChem CID162656025
Molecular FormulaC14H9ClF2N2
Molecular Weight278.69 g/mol
Exact Mass278.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine
SMILESFc1ccc(Nc2ccc(F)c3[nH]ccc23)cc1Cl
InChIInChI=1S/C14H9ClF2N2/c15-10-7-8(1-2-11(10)16)19-13-4-3-12(17)14-9(13)5-6-18-14/h1-7,18-19H
InChIKeyKVNBHMGFSQZVIA-UHFFFAOYSA-N
XLogP4.84
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(piperazin-1-yl)-1H-indole
CID 594590
6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole
CID 10014426
5-Fluoro-1H-indole-3-ethylamine monohydrochloride
CID 197774
5-Chlorotryptamine
CID 77379
5-Fluorotryptamine
CID 164682
5-Fluoroindole
CID 67861
5-Chloroindole
CID 87110
5-Chloro-alphamt
CID 12833
2-(6-fluoro-1H-indol-3-yl)ethanamine
CID 854024
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
N-(7-Chloroquinolin-4-yl)propane-1,3-diamine
CID 245076
3-Benzyl-1H-indole
CID 231168

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine (CID 162656025) is N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine is Fc1ccc(Nc2ccc(F)c3[nH]ccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine?
The InChIKey is KVNBHMGFSQZVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2/c15-10-7-8(1-2-11(10)16)19-13-4-3-12(17)14-9(13)5-6-18-14/h1-7,18-19H.
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine?
N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine has a molecular weight of 278.69 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-fluoro-1H-indol-4-amine is sourced from PubChem (CID 162656025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).