N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide

C19H22F2N4O3 — CID 131682721

IUPACN-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CC2(CO1)CN(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C19H22F2N4O3/c20-14-3-13(4-15(21)5-14)7-23-18(26)17-6-19(11-27-17)10-25(1-2-28-19)9-16-8-22-12-24-16/h3-5,8,12,17H,1-2,6-7,9-11H2,(H,22,24)(H,23,26)
InChIKeyHATCXDFINJKQIC-UHFFFAOYSA-N
MW392.41 g/mol
LogP1.36
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide (PubChem CID 131682721) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
PubChem CID131682721
Molecular FormulaC19H22F2N4O3
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC NameN-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CC2(CO1)CN(Cc1cnc[nH]1)CCO2
InChIInChI=1S/C19H22F2N4O3/c20-14-3-13(4-15(21)5-14)7-23-18(26)17-6-19(11-27-17)10-25(1-2-28-19)9-16-8-22-12-24-16/h3-5,8,12,17H,1-2,6-7,9-11H2,(H,22,24)(H,23,26)
InChIKeyHATCXDFINJKQIC-UHFFFAOYSA-N
XLogP1.36
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide (CID 131682721) is N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide is O=C(NCc1cc(F)cc(F)c1)C1CC2(CO1)CN(Cc1cnc[nH]1)CCO2.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is HATCXDFINJKQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c20-14-3-13(4-15(21)5-14)7-23-18(26)17-6-19(11-27-17)10-25(1-2-28-19)9-16-8-22-12-24-16/h3-5,8,12,17H,1-2,6-7,9-11H2,(H,22,24)(H,23,26).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-9-(1H-imidazol-5-ylmethyl)-2,6-dioxa-9-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 131682721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).