9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C23H23ClF3N3O3 — CID 73212858

IUPAC9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCOC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C23H23ClF3N3O3/c24-18-5-1-16(2-6-18)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-19-7-3-17(4-8-19)23(25,26)27/h1-8H,9-15H2,(H,28,32)
InChIKeyPYEOXPYXBJQBFB-UHFFFAOYSA-N
MW481.90 g/mol
LogP4.90
Rot. Bonds2

About 9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 73212858) has the molecular formula C23H23ClF3N3O3 and a molecular weight of 481.90 g/mol. Its IUPAC name is 9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID73212858
Molecular FormulaC23H23ClF3N3O3
Molecular Weight481.90 g/mol
Exact Mass481.14
IUPAC Name9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCOC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C23H23ClF3N3O3/c24-18-5-1-16(2-6-18)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-19-7-3-17(4-8-19)23(25,26)27/h1-8H,9-15H2,(H,28,32)
InChIKeyPYEOXPYXBJQBFB-UHFFFAOYSA-N
XLogP4.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.90
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 1845020
CID 1845020
CID 73212859
CID 73212859
CID 471639
CID 471639
CID 46889057
CID 46889057
CID 1296963
CID 1296963
CID 17205433
CID 17205433
CID 17298177
CID 17298177
CID 23729132
CID 23729132
CID 24945438
CID 24945438
CID 24945440
CID 24945440
CID 24945518
CID 24945518
CID 24945519
CID 24945519

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 73212858) is 9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCOC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is PYEOXPYXBJQBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O3/c24-18-5-1-16(2-6-18)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-19-7-3-17(4-8-19)23(25,26)27/h1-8H,9-15H2,(H,28,32).
What are the key properties of 9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 481.90 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 73212858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).