N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide

C15H8ClF5N2O2 — CID 23276663

IUPACN-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF5N2O2/c16-9-5-4-7(6-8(9)15(19,20)21)22-14(25)23-13(24)12-10(17)2-1-3-11(12)18/h1-6H,(H2,22,23,24,25)
InChIKeyAIZKBPNPUPCRTR-UHFFFAOYSA-N
MW378.68 g/mol
LogP4.60
Rot. Bonds2

About N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 23276663) has the molecular formula C15H8ClF5N2O2 and a molecular weight of 378.68 g/mol. Its IUPAC name is N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID23276663
Molecular FormulaC15H8ClF5N2O2
Molecular Weight378.68 g/mol
Exact Mass378.02
IUPAC NameN-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF5N2O2/c16-9-5-4-7(6-8(9)15(19,20)21)22-14(25)23-13(24)12-10(17)2-1-3-11(12)18/h1-6H,(H2,22,23,24,25)
InChIKeyAIZKBPNPUPCRTR-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.68
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide (CID 23276663) is N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is AIZKBPNPUPCRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF5N2O2/c16-9-5-4-7(6-8(9)15(19,20)21)22-14(25)23-13(24)12-10(17)2-1-3-11(12)18/h1-6H,(H2,22,23,24,25).
What are the key properties of N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 378.68 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 23276663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).