(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride

C19H20ClFN2O — CID 119765168

IUPAC(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1
InChIInChI=1S/C19H19FN2O.ClH/c20-15-7-4-8-16-17(15)19(9-1-2-10-19)12-22(16)18(23)13-5-3-6-14(21)11-13;/h3-8,11H,1-2,9-10,12,21H2;1H
InChIKeyAJMUVVBZTJNEFU-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.30
Rot. Bonds1

About (3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride

(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride (PubChem CID 119765168) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is (3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
PubChem CID119765168
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1
InChIInChI=1S/C19H19FN2O.ClH/c20-15-7-4-8-16-17(15)19(9-1-2-10-19)12-22(16)18(23)13-5-3-6-14(21)11-13;/h3-8,11H,1-2,9-10,12,21H2;1H
InChIKeyAJMUVVBZTJNEFU-UHFFFAOYSA-N
XLogP4.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 721309
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CID 682204
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CID 5353593
CID 5353593
CID 11200735
CID 11200735
CID 11957576
CID 11957576
CID 44251218
CID 44251218
CID 24854187
CID 24854187
CID 25266662
CID 25266662
CID 25266666
CID 25266666
CID 44250342
CID 44250342

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride (CID 119765168) is (3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride is Cl.Nc1cccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1.
What is the InChIKey of (3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride?
The InChIKey is AJMUVVBZTJNEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O.ClH/c20-15-7-4-8-16-17(15)19(9-1-2-10-19)12-22(16)18(23)13-5-3-6-14(21)11-13;/h3-8,11H,1-2,9-10,12,21H2;1H.
What are the key properties of (3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride?
(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride has a molecular weight of 346.83 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119765168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).