2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide

C16H15FN2O — CID 66409561

IUPAC2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)NCC1Cc2ccccc21
InChIInChI=1S/C16H15FN2O/c17-14-7-3-6-13(15(14)18)16(20)19-9-11-8-10-4-1-2-5-12(10)11/h1-7,11H,8-9,18H2,(H,19,20)
InChIKeyXEZWZJBSJFBLRK-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.48
Rot. Bonds3

About 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide

2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide (PubChem CID 66409561) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide
PubChem CID66409561
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)NCC1Cc2ccccc21
InChIInChI=1S/C16H15FN2O/c17-14-7-3-6-13(15(14)18)16(20)19-9-11-8-10-4-1-2-5-12(10)11/h1-7,11H,8-9,18H2,(H,19,20)
InChIKeyXEZWZJBSJFBLRK-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,4-difluorobenzamide
CID 61111839
2,4-diamino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzamide
CID 61111657
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromobenzamide
CID 79719160
5-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dichlorobenzamide
CID 107184150
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-bromo-4-chlorobenzamide
CID 103764250
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methoxybenzamide
CID 61111294
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688514
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993314
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2,2-trifluoroacetamide
CID 62726730
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide
CID 60811719
(2S)-2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanamide
CID 79024332

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide?
The IUPAC name of 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide (CID 66409561) is 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide is Nc1c(F)cccc1C(=O)NCC1Cc2ccccc21.
What is the InChIKey of 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide?
The InChIKey is XEZWZJBSJFBLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-14-7-3-6-13(15(14)18)16(20)19-9-11-8-10-4-1-2-5-12(10)11/h1-7,11H,8-9,18H2,(H,19,20).
What are the key properties of 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide?
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide has a molecular weight of 270.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-fluorobenzamide is sourced from PubChem (CID 66409561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).