N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide

C19H24FNO2 — CID 91792472

IUPACN-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1
InChIInChI=1S/C19H24FNO2/c1-11-13(7-4-8-15(11)20)19(22)21-17-14-9-10-23-18(14)16(17)12-5-2-3-6-12/h4,7-8,12,14,16-18H,2-3,5-6,9-10H2,1H3,(H,21,22)/t14-,16+,17-,18-/m0/s1
InChIKeyPRQUADWAAXFVKU-RANZSIQMSA-N
MW317.40 g/mol
LogP3.46
Rot. Bonds3

About N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide

N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide (PubChem CID 91792472) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide
PubChem CID91792472
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC NameN-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide
SMILESCc1c(F)cccc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1
InChIInChI=1S/C19H24FNO2/c1-11-13(7-4-8-15(11)20)19(22)21-17-14-9-10-23-18(14)16(17)12-5-2-3-6-12/h4,7-8,12,14,16-18H,2-3,5-6,9-10H2,1H3,(H,21,22)/t14-,16+,17-,18-/m0/s1
InChIKeyPRQUADWAAXFVKU-RANZSIQMSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide?
The IUPAC name of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide (CID 91792472) is N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide?
The canonical SMILES for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide is Cc1c(F)cccc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1.
What is the InChIKey of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide?
The InChIKey is PRQUADWAAXFVKU-RANZSIQMSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-11-13(7-4-8-15(11)20)19(22)21-17-14-9-10-23-18(14)16(17)12-5-2-3-6-12/h4,7-8,12,14,16-18H,2-3,5-6,9-10H2,1H3,(H,21,22)/t14-,16+,17-,18-/m0/s1.
What are the key properties of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide?
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide has a molecular weight of 317.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-fluoro-2-methylbenzamide is sourced from PubChem (CID 91792472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).