(3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C25H27ClFN3O4 — CID 93138542

IUPAC(3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C25H27ClFN3O4/c1-2-12-28-22(31)21-16-34-25(30(21)23(32)17-6-5-7-18(27)15-17)10-13-29(14-11-25)24(33)19-8-3-4-9-20(19)26/h3-9,15,21H,2,10-14,16H2,1H3,(H,28,31)/t21-/m1/s1
InChIKeySTGOKODHWGQJCL-OAQYLSRUSA-N
MW487.96 g/mol
LogP3.48
Rot. Bonds5

About (3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 93138542) has the molecular formula C25H27ClFN3O4 and a molecular weight of 487.96 g/mol. Its IUPAC name is (3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID93138542
Molecular FormulaC25H27ClFN3O4
Molecular Weight487.96 g/mol
Exact Mass487.17
IUPAC Name(3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C25H27ClFN3O4/c1-2-12-28-22(31)21-16-34-25(30(21)23(32)17-6-5-7-18(27)15-17)10-13-29(14-11-25)24(33)19-8-3-4-9-20(19)26/h3-9,15,21H,2,10-14,16H2,1H3,(H,28,31)/t21-/m1/s1
InChIKeySTGOKODHWGQJCL-OAQYLSRUSA-N
XLogP3.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.96
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138533
(3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138692
4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955974
(3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137292
(3S)-8-(3,4-dichlorobenzoyl)-4-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137867
(3R)-8-(3-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138602
N-butan-2-yl-8-(2-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820785
4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956209
(3S)-N-benzyl-8-(4-chlorobenzoyl)-4-(3-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 98421037
8-(4-ethylbenzoyl)-4-(3-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956660
8-(2-chlorobenzoyl)-N-(2-methoxyethyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821061
8-(2,4-difluorobenzoyl)-4-(furan-2-carbonyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821137

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 93138542) is (3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1.
What is the InChIKey of (3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is STGOKODHWGQJCL-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27ClFN3O4/c1-2-12-28-22(31)21-16-34-25(30(21)23(32)17-6-5-7-18(27)15-17)10-13-29(14-11-25)24(33)19-8-3-4-9-20(19)26/h3-9,15,21H,2,10-14,16H2,1H3,(H,28,31)/t21-/m1/s1.
What are the key properties of (3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 487.96 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93138542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).