N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide

C19H17ClF3N3O2 — CID 155294872

IUPACN-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide
SMILESCC1CC(=O)N(Cc2ccc(F)cc2F)CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H17ClF3N3O2/c1-11-6-18(27)25(9-12-2-3-13(21)7-17(12)23)10-26(11)19(28)24-14-4-5-16(22)15(20)8-14/h2-5,7-8,11H,6,9-10H2,1H3,(H,24,28)
InChIKeyXJSDXENRYUGOHO-UHFFFAOYSA-N
MW411.81 g/mol
LogP4.37
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide

N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide (PubChem CID 155294872) has the molecular formula C19H17ClF3N3O2 and a molecular weight of 411.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide
PubChem CID155294872
Molecular FormulaC19H17ClF3N3O2
Molecular Weight411.81 g/mol
Exact Mass411.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide
SMILESCC1CC(=O)N(Cc2ccc(F)cc2F)CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H17ClF3N3O2/c1-11-6-18(27)25(9-12-2-3-13(21)7-17(12)23)10-26(11)19(28)24-14-4-5-16(22)15(20)8-14/h2-5,7-8,11H,6,9-10H2,1H3,(H,24,28)
InChIKeyXJSDXENRYUGOHO-UHFFFAOYSA-N
XLogP4.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide (CID 155294872) is N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide is CC1CC(=O)N(Cc2ccc(F)cc2F)CN1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide?
The InChIKey is XJSDXENRYUGOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2/c1-11-6-18(27)25(9-12-2-3-13(21)7-17(12)23)10-26(11)19(28)24-14-4-5-16(22)15(20)8-14/h2-5,7-8,11H,6,9-10H2,1H3,(H,24,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide has a molecular weight of 411.81 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[(2,4-difluorophenyl)methyl]-6-methyl-4-oxo-1,3-diazinane-1-carboxamide is sourced from PubChem (CID 155294872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).