2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide

C19H11Cl2F3N4O2 — CID 4174080

IUPAC2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H11Cl2F3N4O2/c20-11-7-4-8-12(21)15(11)16(29)27-18(30)28-17-25-13(10-5-2-1-3-6-10)9-14(26-17)19(22,23)24/h1-9H,(H2,25,26,27,28,29,30)
InChIKeyYRMXFGALJQBALO-UHFFFAOYSA-N
MW455.22 g/mol
LogP5.43
Rot. Bonds3

About 2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide

2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide (PubChem CID 4174080) has the molecular formula C19H11Cl2F3N4O2 and a molecular weight of 455.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
PubChem CID4174080
Molecular FormulaC19H11Cl2F3N4O2
Molecular Weight455.22 g/mol
Exact Mass454.02
IUPAC Name2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H11Cl2F3N4O2/c20-11-7-4-8-12(21)15(11)16(29)27-18(30)28-17-25-13(10-5-2-1-3-6-10)9-14(26-17)19(22,23)24/h1-9H,(H2,25,26,27,28,29,30)
InChIKeyYRMXFGALJQBALO-UHFFFAOYSA-N
XLogP5.43
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.22
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide (CID 4174080) is 2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1.
What is the InChIKey of 2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide?
The InChIKey is YRMXFGALJQBALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N4O2/c20-11-7-4-8-12(21)15(11)16(29)27-18(30)28-17-25-13(10-5-2-1-3-6-10)9-14(26-17)19(22,23)24/h1-9H,(H2,25,26,27,28,29,30).
What are the key properties of 2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide?
2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide has a molecular weight of 455.22 g/mol, XLogP of 5.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide is sourced from PubChem (CID 4174080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).