5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide

C33H32ClFN4O2 — CID 46935622

IUPAC5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide
SMILESN#Cc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(Cl)ccc2F)CC4)C3)c1
InChIInChI=1S/C33H32ClFN4O2/c34-26-7-8-29(35)28(18-26)31(40)37-30-9-6-24-4-5-25(17-27(24)30)32(41)39-15-12-33(21-39)10-13-38(14-11-33)20-23-3-1-2-22(16-23)19-36/h1-5,7-8,16-18,30H,6,9-15,20-21H2,(H,37,40)
InChIKeyNEJUTFTVDIYQJW-UHFFFAOYSA-N
MW571.10 g/mol
LogP5.90
Rot. Bonds5

About 5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide

5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide (PubChem CID 46935622) has the molecular formula C33H32ClFN4O2 and a molecular weight of 571.10 g/mol. Its IUPAC name is 5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide
PubChem CID46935622
Molecular FormulaC33H32ClFN4O2
Molecular Weight571.10 g/mol
Exact Mass570.22
IUPAC Name5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide
SMILESN#Cc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(Cl)ccc2F)CC4)C3)c1
InChIInChI=1S/C33H32ClFN4O2/c34-26-7-8-29(35)28(18-26)31(40)37-30-9-6-24-4-5-25(17-27(24)30)32(41)39-15-12-33(21-39)10-13-38(14-11-33)20-23-3-1-2-22(16-23)19-36/h1-5,7-8,16-18,30H,6,9-15,20-21H2,(H,37,40)
InChIKeyNEJUTFTVDIYQJW-UHFFFAOYSA-N
XLogP5.90
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.10
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide 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 5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide (CID 46935622) is 5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide is N#Cc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(Cl)ccc2F)CC4)C3)c1.
What is the InChIKey of 5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide?
The InChIKey is NEJUTFTVDIYQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32ClFN4O2/c34-26-7-8-29(35)28(18-26)31(40)37-30-9-6-24-4-5-25(17-27(24)30)32(41)39-15-12-33(21-39)10-13-38(14-11-33)20-23-3-1-2-22(16-23)19-36/h1-5,7-8,16-18,30H,6,9-15,20-21H2,(H,37,40).
What are the key properties of 5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide?
5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide has a molecular weight of 571.10 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide is sourced from PubChem (CID 46935622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).