N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide

C21H23ClFN3O2 — CID 155883288

IUPACN-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(Cl)c(C2NC(=O)C(F)C(c3ccccc3)N2)c1
InChIInChI=1S/C21H23ClFN3O2/c1-12(2)20(27)24-11-13-8-9-16(22)15(10-13)19-25-18(17(23)21(28)26-19)14-6-4-3-5-7-14/h3-10,12,17-19,25H,11H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyGBDDEHYTGXYSHF-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.41
Rot. Bonds5

About N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide

N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide (PubChem CID 155883288) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide
PubChem CID155883288
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC NameN-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(Cl)c(C2NC(=O)C(F)C(c3ccccc3)N2)c1
InChIInChI=1S/C21H23ClFN3O2/c1-12(2)20(27)24-11-13-8-9-16(22)15(10-13)19-25-18(17(23)21(28)26-19)14-6-4-3-5-7-14/h3-10,12,17-19,25H,11H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyGBDDEHYTGXYSHF-UHFFFAOYSA-N
XLogP3.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide with MolForge

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Related Compounds

N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590633
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
1-benzyl-3-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 57889141
2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide
CID 71459140
US10676446, Example 163
CID 155818427
US10710967, Example 1
CID 155883228
US10710967, Example 21
CID 155883246
US10710967, Example 37
CID 155883261
US10710967, Example 223
CID 155883440
N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)acetamide
CID 1245023
N-(1-Benzyl-piperidin-4-yl)-2-(2,4-dichloro-phenyl)-acetamide
CID 4827344

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide (CID 155883288) is N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccc(Cl)c(C2NC(=O)C(F)C(c3ccccc3)N2)c1.
What is the InChIKey of N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide?
The InChIKey is GBDDEHYTGXYSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c1-12(2)20(27)24-11-13-8-9-16(22)15(10-13)19-25-18(17(23)21(28)26-19)14-6-4-3-5-7-14/h3-10,12,17-19,25H,11H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide?
N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide has a molecular weight of 403.89 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(5-fluoro-4-oxo-6-phenyl-1,3-diazinan-2-yl)phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).