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

C21H24FN3O2 — CID 42849009

IUPACN-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C21H24FN3O2/c1-15(2)20(26)23-17-8-10-18(11-9-17)25-13-5-12-24(21(25)27)14-16-6-3-4-7-19(16)22/h3-4,6-11,15H,5,12-14H2,1-2H3,(H,23,26)
InChIKeyHSCFTPWUDGKBGB-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.25
Rot. Bonds5

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

N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide (PubChem CID 42849009) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide
PubChem CID42849009
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1
InChIInChI=1S/C21H24FN3O2/c1-15(2)20(26)23-17-8-10-18(11-9-17)25-13-5-12-24(21(25)27)14-16-6-3-4-7-19(16)22/h3-4,6-11,15H,5,12-14H2,1-2H3,(H,23,26)
InChIKeyHSCFTPWUDGKBGB-UHFFFAOYSA-N
XLogP4.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.25
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]cyclobutanecarboxamide
CID 42868616
3-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 50814216
1-[(2-fluorophenyl)methyl]-3-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3-diazinan-2-one
CID 50814106
1-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-ethylurea
CID 42869050
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-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3,5-dimethoxybenzamide
CID 42868666
2,6-difluoro-N-[4-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46069597
N-[4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide
CID 42868626
benzyl N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]carbamate
CID 42868694
N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]furan-2-carboxamide
CID 46069600
3-methoxy-N-[4-[3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868692

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide (CID 42849009) is N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1.
What is the InChIKey of N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide?
The InChIKey is HSCFTPWUDGKBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-15(2)20(26)23-17-8-10-18(11-9-17)25-13-5-12-24(21(25)27)14-16-6-3-4-7-19(16)22/h3-4,6-11,15H,5,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide?
N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide has a molecular weight of 369.44 g/mol, XLogP of 4.25, 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]-2-methylpropanamide is sourced from PubChem (CID 42849009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).