10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene

C24H25FN2O2 — CID 110074924

IUPAC10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
SMILESFc1cccc(CN2CCCCCOc3ccccc3Oc3ncccc3C2)c1
InChIInChI=1S/C24H25FN2O2/c25-21-10-6-8-19(16-21)17-27-14-4-1-5-15-28-22-11-2-3-12-23(22)29-24-20(18-27)9-7-13-26-24/h2-3,6-13,16H,1,4-5,14-15,17-18H2
InChIKeyZFLIUMQRPBSUHP-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.58
Rot. Bonds2

About 10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene

10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene (PubChem CID 110074924) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene.

Molecular Properties

Compound Name10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
PubChem CID110074924
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
SMILESFc1cccc(CN2CCCCCOc3ccccc3Oc3ncccc3C2)c1
InChIInChI=1S/C24H25FN2O2/c25-21-10-6-8-19(16-21)17-27-14-4-1-5-15-28-22-11-2-3-12-23(22)29-24-20(18-27)9-7-13-26-24/h2-3,6-13,16H,1,4-5,14-15,17-18H2
InChIKeyZFLIUMQRPBSUHP-UHFFFAOYSA-N
XLogP5.58
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene with MolForge

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Related Compounds

10-[(3-fluorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
CID 110065071
2-(2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 110070929
N-benzyl-2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)-N-methylacetamide
CID 110071117
2-(2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 110070940
10-ethyl-13-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10,13-triazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-9-one
CID 110068104
10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
CID 110065069
N-cyclopentyl-2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)acetamide
CID 110071121
2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 110071048
2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 110071119
N-(cyclopropylmethyl)-2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)acetamide
CID 175654818
2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 110071108
2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 175657154

Frequently Asked Questions

What is the IUPAC name of 10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
The IUPAC name of 10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene (CID 110074924) is 10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene.
What is the SMILES notation for 10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
The canonical SMILES for 10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene is Fc1cccc(CN2CCCCCOc3ccccc3Oc3ncccc3C2)c1.
What is the InChIKey of 10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
The InChIKey is ZFLIUMQRPBSUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c25-21-10-6-8-19(16-21)17-27-14-4-1-5-15-28-22-11-2-3-12-23(22)29-24-20(18-27)9-7-13-26-24/h2-3,6-13,16H,1,4-5,14-15,17-18H2.
What are the key properties of 10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene has a molecular weight of 392.47 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-fluorophenyl)methyl]-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene is sourced from PubChem (CID 110074924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).