14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide

C18H24FN5O — CID 110201178

IUPAC14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide
SMILESCNC(=O)N1CCCCCCn2c(nnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN5O/c1-20-18(25)23-11-4-2-3-5-12-24-16(10-13-23)21-22-17(24)14-6-8-15(19)9-7-14/h6-9H,2-5,10-13H2,1H3,(H,20,25)
InChIKeyKVIOWNLCWDWGMQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.84
Rot. Bonds1

About 14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide

14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide (PubChem CID 110201178) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide.

Molecular Properties

Compound Name14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide
PubChem CID110201178
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide
SMILESCNC(=O)N1CCCCCCn2c(nnc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN5O/c1-20-18(25)23-11-4-2-3-5-12-24-16(10-13-23)21-22-17(24)14-6-8-15(19)9-7-14/h6-9H,2-5,10-13H2,1H3,(H,20,25)
InChIKeyKVIOWNLCWDWGMQ-UHFFFAOYSA-N
XLogP2.84
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide?
The IUPAC name of 14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide (CID 110201178) is 14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide.
What is the SMILES notation for 14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide?
The canonical SMILES for 14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide is CNC(=O)N1CCCCCCn2c(nnc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide?
The InChIKey is KVIOWNLCWDWGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-20-18(25)23-11-4-2-3-5-12-24-16(10-13-23)21-22-17(24)14-6-8-15(19)9-7-14/h6-9H,2-5,10-13H2,1H3,(H,20,25).
What are the key properties of 14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide?
14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-fluorophenyl)-N-methyl-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-diene-8-carboxamide is sourced from PubChem (CID 110201178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).