N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C16H12Cl2F3NO — CID 2707304

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2F3NO/c17-13-5-4-11(14(18)8-13)9-22-15(23)7-10-2-1-3-12(6-10)16(19,20)21/h1-6,8H,7,9H2,(H,22,23)
InChIKeyLTKPNVIOJXXSDI-UHFFFAOYSA-N
MW362.18 g/mol
LogP4.87
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2707304) has the molecular formula C16H12Cl2F3NO and a molecular weight of 362.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2707304
Molecular FormulaC16H12Cl2F3NO
Molecular Weight362.18 g/mol
Exact Mass361.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2F3NO/c17-13-5-4-11(14(18)8-13)9-22-15(23)7-10-2-1-3-12(6-10)16(19,20)21/h1-6,8H,7,9H2,(H,22,23)
InChIKeyLTKPNVIOJXXSDI-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 54.87
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-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 2707304) is N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LTKPNVIOJXXSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO/c17-13-5-4-11(14(18)8-13)9-22-15(23)7-10-2-1-3-12(6-10)16(19,20)21/h1-6,8H,7,9H2,(H,22,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 362.18 g/mol, XLogP of 4.87, 4 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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2707304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).