3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide

C23H25FN2O2 — CID 42632645

IUPAC3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC4(CCC4)C3)c2)c(F)c1
InChIInChI=1S/C23H25FN2O2/c1-14(2)25-22(27)18-11-16(19-6-5-15(3)9-20(19)24)10-17(12-18)21-13-23(28-26-21)7-4-8-23/h5-6,9-12,14H,4,7-8,13H2,1-3H3,(H,25,27)
InChIKeyRLGIKTUNUBBXAS-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.99
Rot. Bonds4

About 3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide

3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide (PubChem CID 42632645) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide
PubChem CID42632645
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC4(CCC4)C3)c2)c(F)c1
InChIInChI=1S/C23H25FN2O2/c1-14(2)25-22(27)18-11-16(19-6-5-15(3)9-20(19)24)10-17(12-18)21-13-23(28-26-21)7-4-8-23/h5-6,9-12,14H,4,7-8,13H2,1-3H3,(H,25,27)
InChIKeyRLGIKTUNUBBXAS-UHFFFAOYSA-N
XLogP4.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide (CID 42632645) is 3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide is Cc1ccc(-c2cc(C(=O)NC(C)C)cc(C3=NOC4(CCC4)C3)c2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide?
The InChIKey is RLGIKTUNUBBXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-14(2)25-22(27)18-11-16(19-6-5-15(3)9-20(19)24)10-17(12-18)21-13-23(28-26-21)7-4-8-23/h5-6,9-12,14H,4,7-8,13H2,1-3H3,(H,25,27).
What are the key properties of 3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide?
3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide has a molecular weight of 380.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 42632645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).