N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide

C22H24FN3O2 — CID 42868616

IUPACN-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1)C1CCC1
InChIInChI=1S/C22H24FN3O2/c23-20-8-2-1-5-17(20)15-25-13-4-14-26(22(25)28)19-11-9-18(10-12-19)24-21(27)16-6-3-7-16/h1-2,5,8-12,16H,3-4,6-7,13-15H2,(H,24,27)
InChIKeyPXODEARBIOICCR-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.40
Rot. Bonds5

About N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide

N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide (PubChem CID 42868616) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide
PubChem CID42868616
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1)C1CCC1
InChIInChI=1S/C22H24FN3O2/c23-20-8-2-1-5-17(20)15-25-13-4-14-26(22(25)28)19-11-9-18(10-12-19)24-21(27)16-6-3-7-16/h1-2,5,8-12,16H,3-4,6-7,13-15H2,(H,24,27)
InChIKeyPXODEARBIOICCR-UHFFFAOYSA-N
XLogP4.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide
CID 42849009
1-[(2-fluorophenyl)methyl]-3-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one
CID 50814106
N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide
CID 46040658
N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide
CID 42868642
N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46775304
N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868656
N-[3-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide
CID 46040968
N-[4-(cyanomethyl)phenyl]-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007227
N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
CID 112986213
2-chloro-N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868655
1-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-ethylurea
CID 42869050
3-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 50814216

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide (CID 42868616) is N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide is O=C(Nc1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1)C1CCC1.
What is the InChIKey of N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is PXODEARBIOICCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-20-8-2-1-5-17(20)15-25-13-4-14-26(22(25)28)19-11-9-18(10-12-19)24-21(27)16-6-3-7-16/h1-2,5,8-12,16H,3-4,6-7,13-15H2,(H,24,27).
What are the key properties of N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide?
N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 381.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 42868616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).