(3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone

C15H18ClFN2O3 — CID 56911618

IUPAC(3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESO=C(c1cccc(Cl)c1F)N1CCOC2(CNCCOC2)C1
InChIInChI=1S/C15H18ClFN2O3/c16-12-3-1-2-11(13(12)17)14(20)19-5-7-22-15(9-19)8-18-4-6-21-10-15/h1-3,18H,4-10H2
InChIKeySMMKFXUIHJKPIT-UHFFFAOYSA-N
MW328.77 g/mol
LogP1.31
Rot. Bonds1

About (3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone

(3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (PubChem CID 56911618) has the molecular formula C15H18ClFN2O3 and a molecular weight of 328.77 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
PubChem CID56911618
Molecular FormulaC15H18ClFN2O3
Molecular Weight328.77 g/mol
Exact Mass328.10
IUPAC Name(3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESO=C(c1cccc(Cl)c1F)N1CCOC2(CNCCOC2)C1
InChIInChI=1S/C15H18ClFN2O3/c16-12-3-1-2-11(13(12)17)14(20)19-5-7-22-15(9-19)8-18-4-6-21-10-15/h1-3,18H,4-10H2
InChIKeySMMKFXUIHJKPIT-UHFFFAOYSA-N
XLogP1.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone 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-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (CID 56911618) is (3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is O=C(c1cccc(Cl)c1F)N1CCOC2(CNCCOC2)C1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The InChIKey is SMMKFXUIHJKPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O3/c16-12-3-1-2-11(13(12)17)14(20)19-5-7-22-15(9-19)8-18-4-6-21-10-15/h1-3,18H,4-10H2.
What are the key properties of (3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
(3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone has a molecular weight of 328.77 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is sourced from PubChem (CID 56911618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).