1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

C25H28FN3O4 — CID 131643036

IUPAC1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CC2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C25H28FN3O4/c26-19-7-5-18(6-8-19)24(31)29-16-25(20-3-1-2-4-21(20)29)15-22(33-17-25)23(30)27-9-10-28-11-13-32-14-12-28/h1-8,22H,9-17H2,(H,27,30)
InChIKeyWURAKAULSFSEHZ-UHFFFAOYSA-N
MW453.51 g/mol
LogP1.96
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (PubChem CID 131643036) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
PubChem CID131643036
Molecular FormulaC25H28FN3O4
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Name1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CC2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C25H28FN3O4/c26-19-7-5-18(6-8-19)24(31)29-16-25(20-3-1-2-4-21(20)29)15-22(33-17-25)23(30)27-9-10-28-11-13-32-14-12-28/h1-8,22H,9-17H2,(H,27,30)
InChIKeyWURAKAULSFSEHZ-UHFFFAOYSA-N
XLogP1.96
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 97440045
1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one
CID 134690534
1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160375
(2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 98781644
(2R)-4-(4-fluorobenzoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9101326
4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110761
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110408174
1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 51304812
N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24708170
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110373868
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (CID 131643036) is 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is O=C(NCCN1CCOCC1)C1CC2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is WURAKAULSFSEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c26-19-7-5-18(6-8-19)24(31)29-16-25(20-3-1-2-4-21(20)29)15-22(33-17-25)23(30)27-9-10-28-11-13-32-14-12-28/h1-8,22H,9-17H2,(H,27,30).
What are the key properties of 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 131643036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).