N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide

C17H15FN2O2 — CID 167902931

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC2Cc3ccccc32)c1F
InChIInChI=1S/C17H15FN2O2/c1-10-5-4-8-13(15(10)18)19-16(21)17(22)20-14-9-11-6-2-3-7-12(11)14/h2-8,14H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyGSMBVGZGVJRTLJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.49
Rot. Bonds2

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide (PubChem CID 167902931) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide
PubChem CID167902931
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC2Cc3ccccc32)c1F
InChIInChI=1S/C17H15FN2O2/c1-10-5-4-8-13(15(10)18)19-16(21)17(22)20-14-9-11-6-2-3-7-12(11)14/h2-8,14H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyGSMBVGZGVJRTLJ-UHFFFAOYSA-N
XLogP2.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
CID 71861885
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide
CID 111798362
N-cyclopentyl-N'-(2-methylphenyl)oxamide
CID 2290931
1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110922075
N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 111798540
N'-(2-fluoro-3-methylphenyl)-N-(1H-pyrrol-2-ylmethyl)oxamide
CID 99605413
N-(4-fluorophenyl)-N'-(2-methylphenyl)oxamide
CID 44998554
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
N-(2,3-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43196442

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide (CID 167902931) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NC2Cc3ccccc32)c1F.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide?
The InChIKey is GSMBVGZGVJRTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10-5-4-8-13(15(10)18)19-16(21)17(22)20-14-9-11-6-2-3-7-12(11)14/h2-8,14H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide has a molecular weight of 298.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N'-(2-fluoro-3-methylphenyl)oxamide is sourced from PubChem (CID 167902931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).