1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine

C20H15Cl3FN3 — CID 171793488

IUPAC1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine
SMILESNCCc1cc(Nc2cc(F)c(Cl)cc2Cl)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C20H15Cl3FN3/c21-11-1-2-18-13(6-11)14-7-12(5-10(3-4-25)20(14)27-18)26-19-9-17(24)15(22)8-16(19)23/h1-2,5-9,26-27H,3-4,25H2
InChIKeyCIOQNRRQNGEFNT-UHFFFAOYSA-N
MW422.72 g/mol
LogP6.67
Rot. Bonds4

About 1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine

1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine (PubChem CID 171793488) has the molecular formula C20H15Cl3FN3 and a molecular weight of 422.72 g/mol. Its IUPAC name is 1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine
PubChem CID171793488
Molecular FormulaC20H15Cl3FN3
Molecular Weight422.72 g/mol
Exact Mass421.03
IUPAC Name1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine
SMILESNCCc1cc(Nc2cc(F)c(Cl)cc2Cl)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C20H15Cl3FN3/c21-11-1-2-18-13(6-11)14-7-12(5-10(3-4-25)20(14)27-18)26-19-9-17(24)15(22)8-16(19)23/h1-2,5-9,26-27H,3-4,25H2
InChIKeyCIOQNRRQNGEFNT-UHFFFAOYSA-N
XLogP6.67
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.72
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine?
The IUPAC name of 1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine (CID 171793488) is 1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine.
What is the SMILES notation for 1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine?
The canonical SMILES for 1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine is NCCc1cc(Nc2cc(F)c(Cl)cc2Cl)cc2c1[nH]c1ccc(Cl)cc12.
What is the InChIKey of 1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine?
The InChIKey is CIOQNRRQNGEFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3FN3/c21-11-1-2-18-13(6-11)14-7-12(5-10(3-4-25)20(14)27-18)26-19-9-17(24)15(22)8-16(19)23/h1-2,5-9,26-27H,3-4,25H2.
What are the key properties of 1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine?
1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine has a molecular weight of 422.72 g/mol, XLogP of 6.67, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-6-chloro-N-(2,4-dichloro-5-fluorophenyl)-9H-carbazol-3-amine is sourced from PubChem (CID 171793488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).