2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone

C24H28ClFN2O2 — CID 131679577

IUPAC2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCCC2(CCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H28ClFN2O2/c25-20-4-1-5-22(16-20)30-18-23(29)27-13-2-10-24(12-15-27)11-3-14-28(24)17-19-6-8-21(26)9-7-19/h1,4-9,16H,2-3,10-15,17-18H2
InChIKeyAYEJCMHROQCPBS-UHFFFAOYSA-N
MW430.95 g/mol
LogP4.91
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone

2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone (PubChem CID 131679577) has the molecular formula C24H28ClFN2O2 and a molecular weight of 430.95 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone
PubChem CID131679577
Molecular FormulaC24H28ClFN2O2
Molecular Weight430.95 g/mol
Exact Mass430.18
IUPAC Name2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone
SMILESO=C(COc1cccc(Cl)c1)N1CCCC2(CCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H28ClFN2O2/c25-20-4-1-5-22(16-20)30-18-23(29)27-13-2-10-24(12-15-27)11-3-14-28(24)17-19-6-8-21(26)9-7-19/h1,4-9,16H,2-3,10-15,17-18H2
InChIKeyAYEJCMHROQCPBS-UHFFFAOYSA-N
XLogP4.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-(3-chlorophenoxy)acetyl]-3-[(3,4-difluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901759
cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396970
1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 97493619
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-[2-(3-fluorophenoxy)acetyl]piperidin-3-yl]acetamide
CID 124962740
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 704351
N-benzyl-2-[3-[(3-chlorophenoxy)methyl]-1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-N-methylacetamide
CID 110079068
2-[4-[(3-chlorophenoxy)methyl]-1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110079736
2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 124990759
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]acetic acid
CID 43521222
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3-chlorophenoxy)ethanone;hydrochloride
CID 120805062

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone (CID 131679577) is 2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone is O=C(COc1cccc(Cl)c1)N1CCCC2(CCCN2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone?
The InChIKey is AYEJCMHROQCPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN2O2/c25-20-4-1-5-22(16-20)30-18-23(29)27-13-2-10-24(12-15-27)11-3-14-28(24)17-19-6-8-21(26)9-7-19/h1,4-9,16H,2-3,10-15,17-18H2.
What are the key properties of 2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone?
2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone has a molecular weight of 430.95 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone is sourced from PubChem (CID 131679577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).