9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one

C19H24ClFN2O2 — CID 72857221

IUPAC9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CC2(CCC1=O)CCN(C(=O)c1cc(F)ccc1Cl)CC2
InChIInChI=1S/C19H24ClFN2O2/c1-13(2)23-12-19(6-5-17(23)24)7-9-22(10-8-19)18(25)15-11-14(21)3-4-16(15)20/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyALCYSGDXUQCOHV-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.73
Rot. Bonds2

About 9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one

9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72857221) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72857221
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC Name9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CC2(CCC1=O)CCN(C(=O)c1cc(F)ccc1Cl)CC2
InChIInChI=1S/C19H24ClFN2O2/c1-13(2)23-12-19(6-5-17(23)24)7-9-22(10-8-19)18(25)15-11-14(21)3-4-16(15)20/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyALCYSGDXUQCOHV-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one 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

1-(3-Chlorobenzoyl)-4-(2-fluorobenzoyl)piperazine
CID 660542
(2-Fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 754219
2-chloro-N-(2,6-dioxo-1-piperidinyl)-N-(2-fluorobenzyl)benzamide
CID 2981754
2-chloro-N-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]benzamide
CID 18135825
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818329
2-chloro-N-cyclohexyl-N-methylbenzamide
CID 306655
(4-Benzylpiperidin-1-yl)(2-chlorophenyl)methanone
CID 667590
[9-[(3-Chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone
CID 52942458
2,6-dichloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 155516318
2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide
CID 155544255
2-Chloro-N,N-diethylbenzamide
CID 82566
1-(3-Chlorobenzoyl)-4-(2-fluorobenzyl)piperazine
CID 717254

Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one (CID 72857221) is 9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one is CC(C)N1CC2(CCC1=O)CCN(C(=O)c1cc(F)ccc1Cl)CC2.
What is the InChIKey of 9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ALCYSGDXUQCOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O2/c1-13(2)23-12-19(6-5-17(23)24)7-9-22(10-8-19)18(25)15-11-14(21)3-4-16(15)20/h3-4,11,13H,5-10,12H2,1-2H3.
What are the key properties of 9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.86 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-5-fluorobenzoyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72857221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).