N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide

C11H10FN3O3 — CID 76851945

IUPACN-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide
SMILESO=C1NCC(NC(=O)c2ccccc2F)C(=O)N1
InChIInChI=1S/C11H10FN3O3/c12-7-4-2-1-3-6(7)9(16)14-8-5-13-11(18)15-10(8)17/h1-4,8H,5H2,(H,14,16)(H2,13,15,17,18)
InChIKeyGWGKSTMENZFQGT-UHFFFAOYSA-N
MW251.22 g/mol
LogP-0.24
Rot. Bonds2

About N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide

N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide (PubChem CID 76851945) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide
PubChem CID76851945
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC NameN-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide
SMILESO=C1NCC(NC(=O)c2ccccc2F)C(=O)N1
InChIInChI=1S/C11H10FN3O3/c12-7-4-2-1-3-6(7)9(16)14-8-5-13-11(18)15-10(8)17/h1-4,8H,5H2,(H,14,16)(H2,13,15,17,18)
InChIKeyGWGKSTMENZFQGT-UHFFFAOYSA-N
XLogP-0.24
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
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N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
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2-amino-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
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2-fluoro-N-(2-methylcyclohexyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide (CID 76851945) is N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide is O=C1NCC(NC(=O)c2ccccc2F)C(=O)N1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide?
The InChIKey is GWGKSTMENZFQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c12-7-4-2-1-3-6(7)9(16)14-8-5-13-11(18)15-10(8)17/h1-4,8H,5H2,(H,14,16)(H2,13,15,17,18).
What are the key properties of N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide?
N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide has a molecular weight of 251.22 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazinan-5-yl)-2-fluorobenzamide is sourced from PubChem (CID 76851945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).