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

C16H13ClF3NO — CID 2597717

IUPACN-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClF3NO/c17-14-6-4-11(5-7-14)10-21-15(22)9-12-2-1-3-13(8-12)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyJYCAGVHPWSSOOT-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.22
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2597717) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2597717
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClF3NO/c17-14-6-4-11(5-7-14)10-21-15(22)9-12-2-1-3-13(8-12)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyJYCAGVHPWSSOOT-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 2597717) is N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JYCAGVHPWSSOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c17-14-6-4-11(5-7-14)10-21-15(22)9-12-2-1-3-13(8-12)16(18,19)20/h1-8H,9-10H2,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 327.73 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2597717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).