N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide

C14H17FN2O2 — CID 66196506

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2C(N)C3CCOC32)cc1F
InChIInChI=1S/C14H17FN2O2/c1-7-2-3-8(6-10(7)15)14(18)17-12-11(16)9-4-5-19-13(9)12/h2-3,6,9,11-13H,4-5,16H2,1H3,(H,17,18)
InChIKeyCTWQKGFIOZUDEY-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.98
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide (PubChem CID 66196506) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide
PubChem CID66196506
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2C(N)C3CCOC32)cc1F
InChIInChI=1S/C14H17FN2O2/c1-7-2-3-8(6-10(7)15)14(18)17-12-11(16)9-4-5-19-13(9)12/h2-3,6,9,11-13H,4-5,16H2,1H3,(H,17,18)
InChIKeyCTWQKGFIOZUDEY-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide
CID 107672150
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)naphthalene-2-carboxamide
CID 66195955
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide
CID 66195347
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-bromo-2-methylbenzamide
CID 66194773
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide
CID 66194976
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide
CID 66195367
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide
CID 66195745
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(3,4-dimethylphenyl)acetamide
CID 66194959
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 66195370
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-hydroxy-2-methylbenzamide
CID 107672151
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide
CID 43594335

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide (CID 66196506) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC2C(N)C3CCOC32)cc1F.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide?
The InChIKey is CTWQKGFIOZUDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-7-2-3-8(6-10(7)15)14(18)17-12-11(16)9-4-5-19-13(9)12/h2-3,6,9,11-13H,4-5,16H2,1H3,(H,17,18).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide has a molecular weight of 264.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 66196506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).