2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide

C35H34Cl2F3N3O2 — CID 66700913

IUPAC2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide
SMILESO=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CCN(c3ccc(Cl)cc3C(F)(F)F)CC2)C1
InChIInChI=1S/C35H34Cl2F3N3O2/c36-24-8-12-31(28(20-24)35(38,39)40)41-16-13-34(14-17-41)15-18-42(21-34)32(44)23-6-5-22-7-11-30(27(22)19-23)43(25-9-10-25)33(45)26-3-1-2-4-29(26)37/h1-6,8,12,19-20,25,30H,7,9-11,13-18,21H2
InChIKeyNGPVNCGAFLKZGU-UHFFFAOYSA-N
MW656.58 g/mol
LogP8.44
Rot. Bonds5

About 2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide

2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide (PubChem CID 66700913) has the molecular formula C35H34Cl2F3N3O2 and a molecular weight of 656.58 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide
PubChem CID66700913
Molecular FormulaC35H34Cl2F3N3O2
Molecular Weight656.58 g/mol
Exact Mass655.20
IUPAC Name2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide
SMILESO=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CCN(c3ccc(Cl)cc3C(F)(F)F)CC2)C1
InChIInChI=1S/C35H34Cl2F3N3O2/c36-24-8-12-31(28(20-24)35(38,39)40)41-16-13-34(14-17-41)15-18-42(21-34)32(44)23-6-5-22-7-11-30(27(22)19-23)43(25-9-10-25)33(45)26-3-1-2-4-29(26)37/h1-6,8,12,19-20,25,30H,7,9-11,13-18,21H2
InChIKeyNGPVNCGAFLKZGU-UHFFFAOYSA-N
XLogP8.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.58
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide 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-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide?
The IUPAC name of 2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide (CID 66700913) is 2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide is O=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CCN(c3ccc(Cl)cc3C(F)(F)F)CC2)C1.
What is the InChIKey of 2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide?
The InChIKey is NGPVNCGAFLKZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34Cl2F3N3O2/c36-24-8-12-31(28(20-24)35(38,39)40)41-16-13-34(14-17-41)15-18-42(21-34)32(44)23-6-5-22-7-11-30(27(22)19-23)43(25-9-10-25)33(45)26-3-1-2-4-29(26)37/h1-6,8,12,19-20,25,30H,7,9-11,13-18,21H2.
What are the key properties of 2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide?
2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide has a molecular weight of 656.58 g/mol, XLogP of 8.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[8-[4-chloro-2-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 66700913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).