3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide

C20H24ClFN2O3 — CID 45177034

IUPAC3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCC1CCC2(CCN(C(=O)C3CC3)CC2)O1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H24ClFN2O3/c21-16-11-14(3-4-17(16)22)18(25)23-12-15-5-6-20(27-15)7-9-24(10-8-20)19(26)13-1-2-13/h3-4,11,13,15H,1-2,5-10,12H2,(H,23,25)
InChIKeyDQEHIANLGYSORJ-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.16
Rot. Bonds4

About 3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide

3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide (PubChem CID 45177034) has the molecular formula C20H24ClFN2O3 and a molecular weight of 394.87 g/mol. Its IUPAC name is 3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide
PubChem CID45177034
Molecular FormulaC20H24ClFN2O3
Molecular Weight394.87 g/mol
Exact Mass394.15
IUPAC Name3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCC1CCC2(CCN(C(=O)C3CC3)CC2)O1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H24ClFN2O3/c21-16-11-14(3-4-17(16)22)18(25)23-12-15-5-6-20(27-15)7-9-24(10-8-20)19(26)13-1-2-13/h3-4,11,13,15H,1-2,5-10,12H2,(H,23,25)
InChIKeyDQEHIANLGYSORJ-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-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 3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide (CID 45177034) is 3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide is O=C(NCC1CCC2(CCN(C(=O)C3CC3)CC2)O1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide?
The InChIKey is DQEHIANLGYSORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O3/c21-16-11-14(3-4-17(16)22)18(25)23-12-15-5-6-20(27-15)7-9-24(10-8-20)19(26)13-1-2-13/h3-4,11,13,15H,1-2,5-10,12H2,(H,23,25).
What are the key properties of 3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide?
3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide has a molecular weight of 394.87 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[8-(cyclopropanecarbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 45177034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).