2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide

C25H23F2N3O2 — CID 92999505

IUPAC2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide
SMILESC[C@H](c1ccccc1)N1CCCN(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)C1=O
InChIInChI=1S/C25H23F2N3O2/c1-17(18-6-3-2-4-7-18)29-14-5-15-30(25(29)32)21-11-9-20(10-12-21)28-24(31)22-13-8-19(26)16-23(22)27/h2-4,6-13,16-17H,5,14-15H2,1H3,(H,28,31)/t17-/m1/s1
InChIKeyRZXJUHLJPGOCPH-QGZVFWFLSA-N
MW435.47 g/mol
LogP5.61
Rot. Bonds5

About 2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide

2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide (PubChem CID 92999505) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide
PubChem CID92999505
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC Name2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide
SMILESC[C@H](c1ccccc1)N1CCCN(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)C1=O
InChIInChI=1S/C25H23F2N3O2/c1-17(18-6-3-2-4-7-18)29-14-5-15-30(25(29)32)21-11-9-20(10-12-21)28-24(31)22-13-8-19(26)16-23(22)27/h2-4,6-13,16-17H,5,14-15H2,1H3,(H,28,31)/t17-/m1/s1
InChIKeyRZXJUHLJPGOCPH-QGZVFWFLSA-N
XLogP5.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide with MolForge

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Related Compounds

N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide
CID 42868642
(2S)-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide
CID 92999502
4-methyl-3-nitro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide
CID 92999493
2,4-difluoro-N-[4-[2-oxo-3-[(2,4,6-trimethylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868984
N-[4-[3-[(3,4-dichlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2,4-difluorobenzamide
CID 46069694
4-chloro-N-[5-methyl-2-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]benzamide
CID 42868906
N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-methylpropanamide
CID 42849009
2,4-difluoro-N-[3-oxo-4-[(1R)-1-phenylpropyl]-5H-1,4-benzoxazepin-7-yl]benzamide
CID 93124446
2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide
CID 70188641
2,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47067429
N-[(2R)-2-ethyl-3-oxo-4-[(1R)-1-phenylpropyl]-5H-1,4-benzoxazepin-7-yl]-2,4-difluorobenzamide
CID 93124415
N-[4-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3,5-dimethoxybenzamide
CID 42868666

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide (CID 92999505) is 2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide is C[C@H](c1ccccc1)N1CCCN(c2ccc(NC(=O)c3ccc(F)cc3F)cc2)C1=O.
What is the InChIKey of 2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide?
The InChIKey is RZXJUHLJPGOCPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c1-17(18-6-3-2-4-7-18)29-14-5-15-30(25(29)32)21-11-9-20(10-12-21)28-24(31)22-13-8-19(26)16-23(22)27/h2-4,6-13,16-17H,5,14-15H2,1H3,(H,28,31)/t17-/m1/s1.
What are the key properties of 2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide?
2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide has a molecular weight of 435.47 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide is sourced from PubChem (CID 92999505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).