(2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide

C22H23FN2O2 — CID 97396709

IUPAC(2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@@H]1C[C@@]12CCN(C(=O)CCc1ccccc1)C2
InChIInChI=1S/C22H23FN2O2/c23-17-7-4-8-18(13-17)24-21(27)19-14-22(19)11-12-25(15-22)20(26)10-9-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,24,27)/t19-,22+/m0/s1
InChIKeyKZTDVOOMGROPSQ-SIKLNZKXSA-N
MW366.44 g/mol
LogP3.64
Rot. Bonds5

About (2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide

(2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 97396709) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID97396709
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@@H]1C[C@@]12CCN(C(=O)CCc1ccccc1)C2
InChIInChI=1S/C22H23FN2O2/c23-17-7-4-8-18(13-17)24-21(27)19-14-22(19)11-12-25(15-22)20(26)10-9-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,24,27)/t19-,22+/m0/s1
InChIKeyKZTDVOOMGROPSQ-SIKLNZKXSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492919
(2S,3R)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492920
2-N-(3-fluorophenyl)-5-N-[(3-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646523
2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid
CID 131663328
2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 155853980
N-(1,3-benzodioxol-5-yl)-5-[2-(4-fluorophenyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 131661543
(2S,3S)-5-(4-ethylphenyl)sulfonyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492949
(2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492854
(2R,3S)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492855
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-6-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126466308
(2S,3S)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492569
(2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492570

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 97396709) is (2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide is O=C(Nc1cccc(F)c1)[C@@H]1C[C@@]12CCN(C(=O)CCc1ccccc1)C2.
What is the InChIKey of (2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is KZTDVOOMGROPSQ-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-17-7-4-8-18(13-17)24-21(27)19-14-22(19)11-12-25(15-22)20(26)10-9-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,24,27)/t19-,22+/m0/s1.
What are the key properties of (2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide?
(2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 97396709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).