N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide

C17H18FN3O — CID 67061060

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)C1=NN=C2C1CC1CC21
InChIInChI=1S/C17H18FN3O/c1-9(6-10-2-4-12(18)5-3-10)19-17(22)16-14-8-11-7-13(11)15(14)20-21-16/h2-5,9,11,13-14H,6-8H2,1H3,(H,19,22)
InChIKeyLLKGUGMXTRHHKO-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.34
Rot. Bonds4

About N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide

N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide (PubChem CID 67061060) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide
PubChem CID67061060
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)C1=NN=C2C1CC1CC21
InChIInChI=1S/C17H18FN3O/c1-9(6-10-2-4-12(18)5-3-10)19-17(22)16-14-8-11-7-13(11)15(14)20-21-16/h2-5,9,11,13-14H,6-8H2,1H3,(H,19,22)
InChIKeyLLKGUGMXTRHHKO-UHFFFAOYSA-N
XLogP2.34
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide (CID 67061060) is N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide is CC(Cc1ccc(F)cc1)NC(=O)C1=NN=C2C1CC1CC21.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide?
The InChIKey is LLKGUGMXTRHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-9(6-10-2-4-12(18)5-3-10)19-17(22)16-14-8-11-7-13(11)15(14)20-21-16/h2-5,9,11,13-14H,6-8H2,1H3,(H,19,22).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide?
N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide is sourced from PubChem (CID 67061060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).