N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide

C23H24F3N3O2 — CID 42868918

IUPACN-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(NC(=O)C2CC2)c1
InChIInChI=1S/C23H24F3N3O2/c1-15-6-9-20(19(12-15)27-21(30)17-7-8-17)29-11-3-10-28(22(29)31)14-16-4-2-5-18(13-16)23(24,25)26/h2,4-6,9,12-13,17H,3,7-8,10-11,14H2,1H3,(H,27,30)
InChIKeyBYSFSFNZKAUQGR-UHFFFAOYSA-N
MW431.46 g/mol
LogP5.19
Rot. Bonds5

About N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide

N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide (PubChem CID 42868918) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide
PubChem CID42868918
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC NameN-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(NC(=O)C2CC2)c1
InChIInChI=1S/C23H24F3N3O2/c1-15-6-9-20(19(12-15)27-21(30)17-7-8-17)29-11-3-10-28(22(29)31)14-16-4-2-5-18(13-16)23(24,25)26/h2,4-6,9,12-13,17H,3,7-8,10-11,14H2,1H3,(H,27,30)
InChIKeyBYSFSFNZKAUQGR-UHFFFAOYSA-N
XLogP5.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide
CID 46070368
N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopentanecarboxamide
CID 46070254
(2S)-N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide
CID 92999639
N-[2-[3-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3-(trifluoromethyl)benzamide
CID 46070683
4-methyl-N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]-3-nitrobenzamide
CID 46070396
N-[2-[3-[(2,6-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3-(trifluoromethyl)benzamide
CID 42868873
N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]benzamide
CID 46070249
N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide
CID 46070542
3-fluoro-N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]benzamide
CID 46070442
3,4-dichloro-N-[5-methyl-2-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46070237
1-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]-3-prop-2-enylurea
CID 46070834
2,4-difluoro-N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]benzamide
CID 46070456

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide (CID 42868918) is N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide is Cc1ccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is BYSFSFNZKAUQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-15-6-9-20(19(12-15)27-21(30)17-7-8-17)29-11-3-10-28(22(29)31)14-16-4-2-5-18(13-16)23(24,25)26/h2,4-6,9,12-13,17H,3,7-8,10-11,14H2,1H3,(H,27,30).
What are the key properties of N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide?
N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 431.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 42868918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).