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

C19H23F2NO3 — CID 133264832

IUPACN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide
SMILESCOc1ccc(F)c(F)c1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1
InChIInChI=1S/C19H23F2NO3/c1-24-13-7-6-12(20)16(21)15(13)19(23)22-17-11-8-9-25-18(11)14(17)10-4-2-3-5-10/h6-7,10-11,14,17-18H,2-5,8-9H2,1H3,(H,22,23)/t11-,14+,17+,18-/m1/s1
InChIKeyHFNWPLOVZFDAPV-TWLYDYHNSA-N
MW351.39 g/mol
LogP3.30
Rot. Bonds4

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

N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide (PubChem CID 133264832) has the molecular formula C19H23F2NO3 and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide
PubChem CID133264832
Molecular FormulaC19H23F2NO3
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC NameN-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide
SMILESCOc1ccc(F)c(F)c1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1
InChIInChI=1S/C19H23F2NO3/c1-24-13-7-6-12(20)16(21)15(13)19(23)22-17-11-8-9-25-18(11)14(17)10-4-2-3-5-10/h6-7,10-11,14,17-18H,2-5,8-9H2,1H3,(H,22,23)/t11-,14+,17+,18-/m1/s1
InChIKeyHFNWPLOVZFDAPV-TWLYDYHNSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide with MolForge

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Related Compounds

4-acetyl-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91790884
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide
CID 156609395
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-ethoxyethoxy)benzamide
CID 91769104
N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 133267354
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide
CID 91770801
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 133265898
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide
CID 91776792
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 91772237
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide
CID 133266207
N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide
CID 91780813
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 156609400
N-[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 133265710

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide?
The IUPAC name of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide (CID 133264832) is N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide.
What is the SMILES notation for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide?
The canonical SMILES for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide is COc1ccc(F)c(F)c1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@H]1C1CCCC1.
What is the InChIKey of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide?
The InChIKey is HFNWPLOVZFDAPV-TWLYDYHNSA-N. The full InChI is InChI=1S/C19H23F2NO3/c1-24-13-7-6-12(20)16(21)15(13)19(23)22-17-11-8-9-25-18(11)14(17)10-4-2-3-5-10/h6-7,10-11,14,17-18H,2-5,8-9H2,1H3,(H,22,23)/t11-,14+,17+,18-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide?
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide has a molecular weight of 351.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide is sourced from PubChem (CID 133264832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).