(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide

C20H19FN2O2 — CID 97492919

IUPAC(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@H]1C[C@]12CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C20H19FN2O2/c21-15-7-4-8-16(11-15)22-18(24)17-12-20(17)9-10-23(13-20)19(25)14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,22,24)/t17-,20+/m1/s1
InChIKeyXCKWYZJQLKNTHE-XLIONFOSSA-N
MW338.38 g/mol
LogP3.32
Rot. Bonds3

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

(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 97492919) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is (2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID97492919
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@H]1C[C@]12CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C20H19FN2O2/c21-15-7-4-8-16(11-15)22-18(24)17-12-20(17)9-10-23(13-20)19(25)14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,22,24)/t17-,20+/m1/s1
InChIKeyXCKWYZJQLKNTHE-XLIONFOSSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492920
(2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97396709
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
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 155853980
(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97399848
(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
(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492548
6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136539
(2S,3S)-5-(4-ethylphenyl)sulfonyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492949

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 97492919) is (2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide is O=C(Nc1cccc(F)c1)[C@H]1C[C@]12CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of (2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is XCKWYZJQLKNTHE-XLIONFOSSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-15-7-4-8-16(11-15)22-18(24)17-12-20(17)9-10-23(13-20)19(25)14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,22,24)/t17-,20+/m1/s1.
What are the key properties of (2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 97492919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).