N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine

C16H13Cl2FN2 — CID 43768672

IUPACN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine
SMILESCC(Nc1ccc2[nH]ccc2c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2FN2/c1-9(12-7-15(19)14(18)8-13(12)17)21-11-2-3-16-10(6-11)4-5-20-16/h2-9,20-21H,1H3
InChIKeyQSSCHWSFZMTMDV-UHFFFAOYSA-N
MW323.20 g/mol
LogP5.79
Rot. Bonds3

About N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine (PubChem CID 43768672) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine
PubChem CID43768672
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine
SMILESCC(Nc1ccc2[nH]ccc2c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2FN2/c1-9(12-7-15(19)14(18)8-13(12)17)21-11-2-3-16-10(6-11)4-5-20-16/h2-9,20-21H,1H3
InChIKeyQSSCHWSFZMTMDV-UHFFFAOYSA-N
XLogP5.79
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.20
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-1H-indol-5-amine
CID 43204264
2-chloro-4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]benzonitrile
CID 43775118
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol
CID 43790398
N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine
CID 43093889
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1H-indol-5-amine
CID 65192008
3-bromo-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]aniline
CID 43762868
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]benzoic acid
CID 43774350
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline
CID 43765572
N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine
CID 43768662
N-(1-thiophen-3-ylethyl)-1H-indol-5-amine
CID 62089795
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(methoxymethyl)aniline
CID 43778869
N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine
CID 43768700

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine?
The IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine (CID 43768672) is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine.
What is the SMILES notation for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine?
The canonical SMILES for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine is CC(Nc1ccc2[nH]ccc2c1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine?
The InChIKey is QSSCHWSFZMTMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c1-9(12-7-15(19)14(18)8-13(12)17)21-11-2-3-16-10(6-11)4-5-20-16/h2-9,20-21H,1H3.
What are the key properties of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine?
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine has a molecular weight of 323.20 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine is sourced from PubChem (CID 43768672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).