(5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone

C14H16ClFN2O — CID 117044861

IUPAC(5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCC2(CCNC2)C1
InChIInChI=1S/C14H16ClFN2O/c15-10-1-2-12(16)11(7-10)13(19)18-6-4-14(9-18)3-5-17-8-14/h1-2,7,17H,3-6,8-9H2
InChIKeyACVVSAYMNDDOBR-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.30
Rot. Bonds1

About (5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone

(5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone (PubChem CID 117044861) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
PubChem CID117044861
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name(5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCC2(CCNC2)C1
InChIInChI=1S/C14H16ClFN2O/c15-10-1-2-12(16)11(7-10)13(19)18-6-4-14(9-18)3-5-17-8-14/h1-2,7,17H,3-6,8-9H2
InChIKeyACVVSAYMNDDOBR-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841
(5-chloro-2-fluorophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 117044862
2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone
CID 82038235
(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
1-(5-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55167093
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,4-dichlorophenoxy)propan-1-one
CID 82038014
(5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone
CID 136533613
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone
CID 82038211
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone
CID 119063833
8-(5-chloro-2-fluorobenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56899230

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone (CID 117044861) is (5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone is O=C(c1cc(Cl)ccc1F)N1CCC2(CCNC2)C1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The InChIKey is ACVVSAYMNDDOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c15-10-1-2-12(16)11(7-10)13(19)18-6-4-14(9-18)3-5-17-8-14/h1-2,7,17H,3-6,8-9H2.
What are the key properties of (5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone?
(5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone has a molecular weight of 282.75 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone is sourced from PubChem (CID 117044861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).