(5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C19H19ClFN3O3 — CID 97491611

About (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491611) has the molecular formula C19H19ClFN3O3 and a molecular weight of 391.83 g/mol. Its IUPAC name is (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 97491611
• Molecular Formula: C19H19ClFN3O3
• Molecular Weight: 391.83 g/mol
• Exact Mass: 391.11
• IUPAC Name: (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: O=C(NCc1ccco1)C1=NO[C@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1
• InChI: InChI=1S/C19H19ClFN3O3/c20-15-4-3-13(8-16(15)21)11-24-6-5-19(12-24)9-17(23-27-19)18(25)22-10-14-2-1-7-26-14/h1-4,7-8H,5-6,9-12H2,(H,22,25)/t19-/m1/s1
• InChIKey: FYNFGJHZYGIACI-LJQANCHMSA-N
• XLogP: 3.11
• TPSA: 67.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.83
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491611) is (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCc1ccco1)C1=NO[C@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1.

What is the InChIKey of (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is FYNFGJHZYGIACI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19ClFN3O3/c20-15-4-3-13(8-16(15)21)11-24-6-5-19(12-24)9-17(23-27-19)18(25)22-10-14-2-1-7-26-14/h1-4,7-8H,5-6,9-12H2,(H,22,25)/t19-/m1/s1.

What are the key properties of (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

(5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 391.83 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-[(4-chloro-3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).