2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide

C33H35ClFN3O2 — CID 67546086

IUPAC2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccc(F)cc3)CC4)cc21
InChIInChI=1S/C33H35ClFN3O2/c1-36(32(40)27-4-2-3-5-29(27)34)30-13-8-23-6-7-24(22-28(23)30)31(39)38-20-16-33(17-21-38)14-18-37(19-15-33)26-11-9-25(35)10-12-26/h2-7,9-12,22,30H,8,13-21H2,1H3
InChIKeyODAHQYHZLOVGKX-UHFFFAOYSA-N
MW560.11 g/mol
LogP6.76
Rot. Bonds4

About 2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide

2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide (PubChem CID 67546086) has the molecular formula C33H35ClFN3O2 and a molecular weight of 560.11 g/mol. Its IUPAC name is 2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
PubChem CID67546086
Molecular FormulaC33H35ClFN3O2
Molecular Weight560.11 g/mol
Exact Mass559.24
IUPAC Name2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccc(F)cc3)CC4)cc21
InChIInChI=1S/C33H35ClFN3O2/c1-36(32(40)27-4-2-3-5-29(27)34)30-13-8-23-6-7-24(22-28(23)30)31(39)38-20-16-33(17-21-38)14-18-37(19-15-33)26-11-9-25(35)10-12-26/h2-7,9-12,22,30H,8,13-21H2,1H3
InChIKeyODAHQYHZLOVGKX-UHFFFAOYSA-N
XLogP6.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.11
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide 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 2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide (CID 67546086) is 2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccc(F)cc3)CC4)cc21.
What is the InChIKey of 2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide?
The InChIKey is ODAHQYHZLOVGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClFN3O2/c1-36(32(40)27-4-2-3-5-29(27)34)30-13-8-23-6-7-24(22-28(23)30)31(39)38-20-16-33(17-21-38)14-18-37(19-15-33)26-11-9-25(35)10-12-26/h2-7,9-12,22,30H,8,13-21H2,1H3.
What are the key properties of 2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide?
2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide has a molecular weight of 560.11 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide is sourced from PubChem (CID 67546086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).