N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide

C21H15ClF3NO — CID 139240752

IUPACN-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClF3NO/c1-13(27)26-20-12-16(14-2-7-17(8-3-14)21(23,24)25)6-11-19(20)15-4-9-18(22)10-5-15/h2-12H,1H3,(H,26,27)
InChIKeyQPPRJCVONKLILU-UHFFFAOYSA-N
MW389.80 g/mol
LogP6.65
Rot. Bonds3

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

N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide (PubChem CID 139240752) has the molecular formula C21H15ClF3NO and a molecular weight of 389.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide
PubChem CID139240752
Molecular FormulaC21H15ClF3NO
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC NameN-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClF3NO/c1-13(27)26-20-12-16(14-2-7-17(8-3-14)21(23,24)25)6-11-19(20)15-4-9-18(22)10-5-15/h2-12H,1H3,(H,26,27)
InChIKeyQPPRJCVONKLILU-UHFFFAOYSA-N
XLogP6.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.80
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide (CID 139240752) is N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide is CC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide?
The InChIKey is QPPRJCVONKLILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NO/c1-13(27)26-20-12-16(14-2-7-17(8-3-14)21(23,24)25)6-11-19(20)15-4-9-18(22)10-5-15/h2-12H,1H3,(H,26,27).
What are the key properties of N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide?
N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide has a molecular weight of 389.80 g/mol, XLogP of 6.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 139240752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).