N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide

C15H10Cl2F3NO — CID 7928084

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10Cl2F3NO/c16-10-6-5-9(13(17)7-10)8-21-14(22)11-3-1-2-4-12(11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyJPTXMUZNWHRWNU-UHFFFAOYSA-N
MW348.15 g/mol
LogP4.94
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide

N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 7928084) has the molecular formula C15H10Cl2F3NO and a molecular weight of 348.15 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID7928084
Molecular FormulaC15H10Cl2F3NO
Molecular Weight348.15 g/mol
Exact Mass347.01
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H10Cl2F3NO/c16-10-6-5-9(13(17)7-10)8-21-14(22)11-3-1-2-4-12(11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyJPTXMUZNWHRWNU-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide (CID 7928084) is N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is JPTXMUZNWHRWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO/c16-10-6-5-9(13(17)7-10)8-21-14(22)11-3-1-2-4-12(11)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide?
N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 348.15 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 7928084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).