N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide

C15H10Cl2F3NO — CID 871743

IUPACN-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H10Cl2F3NO/c16-11-5-1-9(2-6-11)13(21-14(22)15(18,19)20)10-3-7-12(17)8-4-10/h1-8,13H,(H,21,22)
InChIKeySMUDWMSMOGGQDM-UHFFFAOYSA-N
MW348.15 g/mol
LogP4.76
Rot. Bonds3

About N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide

N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 871743) has the molecular formula C15H10Cl2F3NO and a molecular weight of 348.15 g/mol. Its IUPAC name is N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide
PubChem CID871743
Molecular FormulaC15H10Cl2F3NO
Molecular Weight348.15 g/mol
Exact Mass347.01
IUPAC NameN-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H10Cl2F3NO/c16-11-5-1-9(2-6-11)13(21-14(22)15(18,19)20)10-3-7-12(17)8-4-10/h1-8,13H,(H,21,22)
InChIKeySMUDWMSMOGGQDM-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide (CID 871743) is N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide is O=C(NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is SMUDWMSMOGGQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO/c16-11-5-1-9(2-6-11)13(21-14(22)15(18,19)20)10-3-7-12(17)8-4-10/h1-8,13H,(H,21,22).
What are the key properties of N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide?
N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 348.15 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 871743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).