N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide

C20H22FN3O2 — CID 139268249

IUPACN-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(-c3cccc(F)c3)cc2)N1
InChIInChI=1S/C20H22FN3O2/c1-12(22-20(26)18-11-19(25)24-13(2)23-18)14-6-8-15(9-7-14)16-4-3-5-17(21)10-16/h3-10,12-13,18,23H,11H2,1-2H3,(H,22,26)(H,24,25)/t12-,13?,18?/m1/s1
InChIKeyXXEIZGFKJJLTDL-WHENESEISA-N
MW355.41 g/mol
LogP2.49
Rot. Bonds4

About N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide

N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268249) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268249
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(-c3cccc(F)c3)cc2)N1
InChIInChI=1S/C20H22FN3O2/c1-12(22-20(26)18-11-19(25)24-13(2)23-18)14-6-8-15(9-7-14)16-4-3-5-17(21)10-16/h3-10,12-13,18,23H,11H2,1-2H3,(H,22,26)(H,24,25)/t12-,13?,18?/m1/s1
InChIKeyXXEIZGFKJJLTDL-WHENESEISA-N
XLogP2.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244
2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268453
N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268573
N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139267999
N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268346
2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268522
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
N-[1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268014
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139267941
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 104921807
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (CID 139268249) is N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(-c3cccc(F)c3)cc2)N1.
What is the InChIKey of N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is XXEIZGFKJJLTDL-WHENESEISA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-12(22-20(26)18-11-19(25)24-13(2)23-18)14-6-8-15(9-7-14)16-4-3-5-17(21)10-16/h3-10,12-13,18,23H,11H2,1-2H3,(H,22,26)(H,24,25)/t12-,13?,18?/m1/s1.
What are the key properties of N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).