N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide

C21H22FN3O2 — CID 46040655

IUPACN-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1)C1CC1
InChIInChI=1S/C21H22FN3O2/c22-17-5-1-4-15(12-17)14-24-10-3-11-25(21(24)27)19-7-2-6-18(13-19)23-20(26)16-8-9-16/h1-2,4-7,12-13,16H,3,8-11,14H2,(H,23,26)
InChIKeyLYZQKZLCCCXEOW-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.01
Rot. Bonds5

About N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide

N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide (PubChem CID 46040655) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide
PubChem CID46040655
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1)C1CC1
InChIInChI=1S/C21H22FN3O2/c22-17-5-1-4-15(12-17)14-24-10-3-11-25(21(24)27)19-7-2-6-18(13-19)23-20(26)16-8-9-16/h1-2,4-7,12-13,16H,3,8-11,14H2,(H,23,26)
InChIKeyLYZQKZLCCCXEOW-UHFFFAOYSA-N
XLogP4.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide (CID 46040655) is N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1)C1CC1.
What is the InChIKey of N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is LYZQKZLCCCXEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-17-5-1-4-15(12-17)14-24-10-3-11-25(21(24)27)19-7-2-6-18(13-19)23-20(26)16-8-9-16/h1-2,4-7,12-13,16H,3,8-11,14H2,(H,23,26).
What are the key properties of N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide?
N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 367.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46040655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).