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

C15H11F3N2O2 — CID 4259050

IUPACN-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)11-7-4-8-12(9-11)19-14(22)20-13(21)10-5-2-1-3-6-10/h1-9H,(H2,19,20,21,22)
InChIKeyGTWNADSAVQUSMU-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.67
Rot. Bonds2

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

N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide (PubChem CID 4259050) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide
PubChem CID4259050
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC NameN-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)11-7-4-8-12(9-11)19-14(22)20-13(21)10-5-2-1-3-6-10/h1-9H,(H2,19,20,21,22)
InChIKeyGTWNADSAVQUSMU-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide (CID 4259050) is N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The InChIKey is GTWNADSAVQUSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)11-7-4-8-12(9-11)19-14(22)20-13(21)10-5-2-1-3-6-10/h1-9H,(H2,19,20,21,22).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide?
N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide has a molecular weight of 308.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 4259050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).