3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide

C18H20FN3O — CID 3244711

IUPAC3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H20FN3O/c19-17-10-5-4-7-15(17)13-21-11-6-12-22(14-21)18(23)20-16-8-2-1-3-9-16/h1-5,7-10H,6,11-14H2,(H,20,23)
InChIKeySACYAXBGIHWEFM-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.52
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide

3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide (PubChem CID 3244711) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide
PubChem CID3244711
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H20FN3O/c19-17-10-5-4-7-15(17)13-21-11-6-12-22(14-21)18(23)20-16-8-2-1-3-9-16/h1-5,7-10H,6,11-14H2,(H,20,23)
InChIKeySACYAXBGIHWEFM-UHFFFAOYSA-N
XLogP3.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide (CID 3244711) is 3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide is O=C(Nc1ccccc1)N1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide?
The InChIKey is SACYAXBGIHWEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-17-10-5-4-7-15(17)13-21-11-6-12-22(14-21)18(23)20-16-8-2-1-3-9-16/h1-5,7-10H,6,11-14H2,(H,20,23).
What are the key properties of 3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide?
3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-N-phenyl-1,3-diazinane-1-carboxamide is sourced from PubChem (CID 3244711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).