9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C19H24ClFN2O2 — CID 134807458

IUPAC9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESO=C1N(CC2CC2)CCOC12CCN(Cc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C19H24ClFN2O2/c20-16-11-15(3-4-17(16)21)12-22-7-5-19(6-8-22)18(24)23(9-10-25-19)13-14-1-2-14/h3-4,11,14H,1-2,5-10,12-13H2
InChIKeyBXSUHKSDBVZQAU-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.08
Rot. Bonds4

About 9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 134807458) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
PubChem CID134807458
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC Name9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESO=C1N(CC2CC2)CCOC12CCN(Cc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C19H24ClFN2O2/c20-16-11-15(3-4-17(16)21)12-22-7-5-19(6-8-22)18(24)23(9-10-25-19)13-14-1-2-14/h3-4,11,14H,1-2,5-10,12-13H2
InChIKeyBXSUHKSDBVZQAU-UHFFFAOYSA-N
XLogP3.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one with MolForge

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
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CID 113345091
(3S)-3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-one
CID 86327531
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
CID 24904788
9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 134809571
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195379
1-[(3-chloro-4-fluorophenyl)methyl]piperidine-4-carbothioamide
CID 103038018
4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 134807697
2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethylcarbamic acid
CID 68847048
8-[(3-bromo-4-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 60523654

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 134807458) is 9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is O=C1N(CC2CC2)CCOC12CCN(Cc1ccc(F)c(Cl)c1)CC2.
What is the InChIKey of 9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is BXSUHKSDBVZQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O2/c20-16-11-15(3-4-17(16)21)12-22-7-5-19(6-8-22)18(24)23(9-10-25-19)13-14-1-2-14/h3-4,11,14H,1-2,5-10,12-13H2.
What are the key properties of 9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 366.86 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chloro-4-fluorophenyl)methyl]-4-(cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134807458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).