N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride

C22H26ClFN2O2 — CID 67754305

IUPACN-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride
SMILESCOc1cccc2c1[C@H]1CCN(CCNC(=O)c3ccc(F)cc3)C[C@@H]1C2.Cl
InChIInChI=1S/C22H25FN2O2.ClH/c1-27-20-4-2-3-16-13-17-14-25(11-9-19(17)21(16)20)12-10-24-22(26)15-5-7-18(23)8-6-15;/h2-8,17,19H,9-14H2,1H3,(H,24,26);1H/t17-,19-;/m0./s1
InChIKeyKZQZFWPKJXJTSR-QQTWVUFVSA-N
MW404.91 g/mol
LogP3.65
Rot. Bonds5

About N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride

N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride (PubChem CID 67754305) has the molecular formula C22H26ClFN2O2 and a molecular weight of 404.91 g/mol. Its IUPAC name is N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride
PubChem CID67754305
Molecular FormulaC22H26ClFN2O2
Molecular Weight404.91 g/mol
Exact Mass404.17
IUPAC NameN-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride
SMILESCOc1cccc2c1[C@H]1CCN(CCNC(=O)c3ccc(F)cc3)C[C@@H]1C2.Cl
InChIInChI=1S/C22H25FN2O2.ClH/c1-27-20-4-2-3-16-13-17-14-25(11-9-19(17)21(16)20)12-10-24-22(26)15-5-7-18(23)8-6-15;/h2-8,17,19H,9-14H2,1H3,(H,24,26);1H/t17-,19-;/m0./s1
InChIKeyKZQZFWPKJXJTSR-QQTWVUFVSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.91
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride (CID 67754305) is N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride is COc1cccc2c1[C@H]1CCN(CCNC(=O)c3ccc(F)cc3)C[C@@H]1C2.Cl.
What is the InChIKey of N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is KZQZFWPKJXJTSR-QQTWVUFVSA-N. The full InChI is InChI=1S/C22H25FN2O2.ClH/c1-27-20-4-2-3-16-13-17-14-25(11-9-19(17)21(16)20)12-10-24-22(26)15-5-7-18(23)8-6-15;/h2-8,17,19H,9-14H2,1H3,(H,24,26);1H/t17-,19-;/m0./s1.
What are the key properties of N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride?
N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 404.91 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 67754305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).