(1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide

C21H23FN2O2 — CID 166270447

IUPAC(1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@@H]1C[C@H]2C[C@H](C(=O)Nc3ccc(OCc4ccccc4)c(F)c3)C[C@H]21
InChIInChI=1S/C21H23FN2O2/c22-18-11-16(6-7-20(18)26-12-13-4-2-1-3-5-13)24-21(25)15-8-14-10-19(23)17(14)9-15/h1-7,11,14-15,17,19H,8-10,12,23H2,(H,24,25)/t14-,15+,17-,19-/m1/s1
InChIKeyJJTRXKCMJGBTRP-LORHWOILSA-N
MW354.43 g/mol
LogP3.72
Rot. Bonds5

About (1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide

(1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 166270447) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide
PubChem CID166270447
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@@H]1C[C@H]2C[C@H](C(=O)Nc3ccc(OCc4ccccc4)c(F)c3)C[C@H]21
InChIInChI=1S/C21H23FN2O2/c22-18-11-16(6-7-20(18)26-12-13-4-2-1-3-5-13)24-21(25)15-8-14-10-19(23)17(14)9-15/h1-7,11,14-15,17,19H,8-10,12,23H2,(H,24,25)/t14-,15+,17-,19-/m1/s1
InChIKeyJJTRXKCMJGBTRP-LORHWOILSA-N
XLogP3.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide (CID 166270447) is (1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide is N[C@@H]1C[C@H]2C[C@H](C(=O)Nc3ccc(OCc4ccccc4)c(F)c3)C[C@H]21.
What is the InChIKey of (1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is JJTRXKCMJGBTRP-LORHWOILSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-11-16(6-7-20(18)26-12-13-4-2-1-3-5-13)24-21(25)15-8-14-10-19(23)17(14)9-15/h1-7,11,14-15,17,19H,8-10,12,23H2,(H,24,25)/t14-,15+,17-,19-/m1/s1.
What are the key properties of (1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide?
(1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R,6R)-6-amino-N-(3-fluoro-4-phenylmethoxyphenyl)bicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 166270447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).