N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide

C18H15FN2O2 — CID 110384380

IUPACN-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc2c3c(c1)CC(=O)N3CC2
InChIInChI=1S/C18H15FN2O2/c19-15-4-2-1-3-12(15)10-20-18(23)14-7-11-5-6-21-16(22)9-13(8-14)17(11)21/h1-4,7-8H,5-6,9-10H2,(H,20,23)
InChIKeyGQQJJEBBISDNEA-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.20
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide

N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide (PubChem CID 110384380) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
PubChem CID110384380
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc2c3c(c1)CC(=O)N3CC2
InChIInChI=1S/C18H15FN2O2/c19-15-4-2-1-3-12(15)10-20-18(23)14-7-11-5-6-21-16(22)9-13(8-14)17(11)21/h1-4,7-8H,5-6,9-10H2,(H,20,23)
InChIKeyGQQJJEBBISDNEA-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
CID 110384394
N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383991
N-(2-fluorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384313
N-[2-(2-methoxyphenyl)ethyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384258
4-(2,3-dihydroindole-1-carbonyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 109047185
N-[(2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711893
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348179
4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369657
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide (CID 110384380) is N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide is O=C(NCc1ccccc1F)c1cc2c3c(c1)CC(=O)N3CC2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
The InChIKey is GQQJJEBBISDNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-15-4-2-1-3-12(15)10-20-18(23)14-7-11-5-6-21-16(22)9-13(8-14)17(11)21/h1-4,7-8H,5-6,9-10H2,(H,20,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide is sourced from PubChem (CID 110384380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).