2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide

C19H11Cl2F3N4O3 — CID 14130612

IUPAC2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ncc(Cl)cn2)c(C(F)(F)F)c1
InChIInChI=1S/C19H11Cl2F3N4O3/c20-10-8-25-18(26-9-10)31-15-6-5-11(7-13(15)19(22,23)24)27-17(30)28-16(29)12-3-1-2-4-14(12)21/h1-9H,(H2,27,28,29,30)
InChIKeyOLEJAOQBSOLNBN-UHFFFAOYSA-N
MW471.22 g/mol
LogP5.56
Rot. Bonds4

About 2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide

2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide (PubChem CID 14130612) has the molecular formula C19H11Cl2F3N4O3 and a molecular weight of 471.22 g/mol. Its IUPAC name is 2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
PubChem CID14130612
Molecular FormulaC19H11Cl2F3N4O3
Molecular Weight471.22 g/mol
Exact Mass470.02
IUPAC Name2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ncc(Cl)cn2)c(C(F)(F)F)c1
InChIInChI=1S/C19H11Cl2F3N4O3/c20-10-8-25-18(26-9-10)31-15-6-5-11(7-13(15)19(22,23)24)27-17(30)28-16(29)12-3-1-2-4-14(12)21/h1-9H,(H2,27,28,29,30)
InChIKeyOLEJAOQBSOLNBN-UHFFFAOYSA-N
XLogP5.56
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.22
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide (CID 14130612) is 2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ncc(Cl)cn2)c(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The InChIKey is OLEJAOQBSOLNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N4O3/c20-10-8-25-18(26-9-10)31-15-6-5-11(7-13(15)19(22,23)24)27-17(30)28-16(29)12-3-1-2-4-14(12)21/h1-9H,(H2,27,28,29,30).
What are the key properties of 2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide has a molecular weight of 471.22 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 14130612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).