2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide

C15H11ClF3NO — CID 46212197

IUPAC2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide
SMILESNC(=O)Cc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3NO/c16-12-5-6-13(10(7-12)8-14(20)21)9-1-3-11(4-2-9)15(17,18)19/h1-7H,8H2,(H2,20,21)
InChIKeyDVMLDVCQGOXLHY-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.05
Rot. Bonds3

About 2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide

2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide (PubChem CID 46212197) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is 2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide
PubChem CID46212197
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC Name2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide
SMILESNC(=O)Cc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3NO/c16-12-5-6-13(10(7-12)8-14(20)21)9-1-3-11(4-2-9)15(17,18)19/h1-7H,8H2,(H2,20,21)
InChIKeyDVMLDVCQGOXLHY-UHFFFAOYSA-N
XLogP4.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide?
The IUPAC name of 2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide (CID 46212197) is 2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide?
The canonical SMILES for 2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide is NC(=O)Cc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide?
The InChIKey is DVMLDVCQGOXLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c16-12-5-6-13(10(7-12)8-14(20)21)9-1-3-11(4-2-9)15(17,18)19/h1-7H,8H2,(H2,20,21).
What are the key properties of 2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide?
2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide has a molecular weight of 313.71 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 46212197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).