7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide

C14H15F2N3O4 — CID 175630872

IUPAC7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide
SMILESCOC1=C(F)C=C(C(=O)NC2CCC(=O)NC2=O)C(N)=CC1F
InChIInChI=1S/C14H15F2N3O4/c1-23-12-7(15)4-6(9(17)5-8(12)16)13(21)18-10-2-3-11(20)19-14(10)22/h4-5,8,10H,2-3,17H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyPADWFGNXPZMKRH-UHFFFAOYSA-N
MW327.29 g/mol
LogP-0.14
Rot. Bonds3

About 7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide

7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 175630872) has the molecular formula C14H15F2N3O4 and a molecular weight of 327.29 g/mol. Its IUPAC name is 7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound Name7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide
PubChem CID175630872
Molecular FormulaC14H15F2N3O4
Molecular Weight327.29 g/mol
Exact Mass327.10
IUPAC Name7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide
SMILESCOC1=C(F)C=C(C(=O)NC2CCC(=O)NC2=O)C(N)=CC1F
InChIInChI=1S/C14H15F2N3O4/c1-23-12-7(15)4-6(9(17)5-8(12)16)13(21)18-10-2-3-11(20)19-14(10)22/h4-5,8,10H,2-3,17H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyPADWFGNXPZMKRH-UHFFFAOYSA-N
XLogP-0.14
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of 7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide (CID 175630872) is 7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for 7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for 7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide is COC1=C(F)C=C(C(=O)NC2CCC(=O)NC2=O)C(N)=CC1F.
What is the InChIKey of 7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is PADWFGNXPZMKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O4/c1-23-12-7(15)4-6(9(17)5-8(12)16)13(21)18-10-2-3-11(20)19-14(10)22/h4-5,8,10H,2-3,17H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of 7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide?
7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 327.29 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 175630872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).