2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide

C15H10ClF3N2O2 — CID 5240168

IUPAC2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10ClF3N2O2/c16-12-7-2-1-6-11(12)13(22)21-14(23)20-10-5-3-4-9(8-10)15(17,18)19/h1-8H,(H2,20,21,22,23)
InChIKeyLXGPETWMOWPQBR-UHFFFAOYSA-N
MW342.70 g/mol
LogP4.32
Rot. Bonds2

About 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide

2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide (PubChem CID 5240168) has the molecular formula C15H10ClF3N2O2 and a molecular weight of 342.70 g/mol. Its IUPAC name is 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide
PubChem CID5240168
Molecular FormulaC15H10ClF3N2O2
Molecular Weight342.70 g/mol
Exact Mass342.04
IUPAC Name2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10ClF3N2O2/c16-12-7-2-1-6-11(12)13(22)21-14(23)20-10-5-3-4-9(8-10)15(17,18)19/h1-8H,(H2,20,21,22,23)
InChIKeyLXGPETWMOWPQBR-UHFFFAOYSA-N
XLogP4.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.70
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide (CID 5240168) is 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The InChIKey is LXGPETWMOWPQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2/c16-12-7-2-1-6-11(12)13(22)21-14(23)20-10-5-3-4-9(8-10)15(17,18)19/h1-8H,(H2,20,21,22,23).
What are the key properties of 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide has a molecular weight of 342.70 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 5240168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).