N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide

C14H14F3NO3 — CID 133267398

IUPACN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide
SMILESO=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)21-9-3-1-2-8(6-9)13(19)18-11-7-12-10(11)4-5-20-12/h1-3,6,10-12H,4-5,7H2,(H,18,19)/t10-,11+,12+/m0/s1
InChIKeyBKMRHPGMCJCSDN-QJPTWQEYSA-N
MW301.26 g/mol
LogP2.49
Rot. Bonds3

About N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide

N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide (PubChem CID 133267398) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide
PubChem CID133267398
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC NameN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide
SMILESO=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)21-9-3-1-2-8(6-9)13(19)18-11-7-12-10(11)4-5-20-12/h1-3,6,10-12H,4-5,7H2,(H,18,19)/t10-,11+,12+/m0/s1
InChIKeyBKMRHPGMCJCSDN-QJPTWQEYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91763791
N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide
CID 122276365
4-[6-[[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]naphthalen-1-yl]benzoic acid
CID 175642494
N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide
CID 69105937
(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 32979083
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide
CID 91769351
2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792621
N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(pyrrol-1-ylmethyl)benzamide
CID 91780019
2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 133268115
2-cyclopropyl-2-methoxy-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 116709170
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
CID 10338943
2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792975

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide (CID 133267398) is N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide is O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide?
The InChIKey is BKMRHPGMCJCSDN-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)21-9-3-1-2-8(6-9)13(19)18-11-7-12-10(11)4-5-20-12/h1-3,6,10-12H,4-5,7H2,(H,18,19)/t10-,11+,12+/m0/s1.
What are the key properties of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide?
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide has a molecular weight of 301.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 133267398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).