1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride

C21H23ClFN3O — CID 175820468

IUPAC1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2n1C1CCCC(N)C1
InChIInChI=1S/C21H22FN3O.ClH/c22-16-8-6-13(7-9-16)14-4-5-15-11-20(21(24)26)25(19(15)10-14)18-3-1-2-17(23)12-18;/h4-11,17-18H,1-3,12,23H2,(H2,24,26);1H
InChIKeyNHSOHQWYCRUFIR-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.41
Rot. Bonds3

About 1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride

1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride (PubChem CID 175820468) has the molecular formula C21H23ClFN3O and a molecular weight of 387.89 g/mol. Its IUPAC name is 1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride
PubChem CID175820468
Molecular FormulaC21H23ClFN3O
Molecular Weight387.89 g/mol
Exact Mass387.15
IUPAC Name1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2n1C1CCCC(N)C1
InChIInChI=1S/C21H22FN3O.ClH/c22-16-8-6-13(7-9-16)14-4-5-15-11-20(21(24)26)25(19(15)10-14)18-3-1-2-17(23)12-18;/h4-11,17-18H,1-3,12,23H2,(H2,24,26);1H
InChIKeyNHSOHQWYCRUFIR-UHFFFAOYSA-N
XLogP4.41
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride (CID 175820468) is 1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride is Cl.NC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2n1C1CCCC(N)C1.
What is the InChIKey of 1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride?
The InChIKey is NHSOHQWYCRUFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O.ClH/c22-16-8-6-13(7-9-16)14-4-5-15-11-20(21(24)26)25(19(15)10-14)18-3-1-2-17(23)12-18;/h4-11,17-18H,1-3,12,23H2,(H2,24,26);1H.
What are the key properties of 1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride?
1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride has a molecular weight of 387.89 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexyl)-6-(4-fluorophenyl)indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 175820468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).