N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide

C16H13ClF3NO2 — CID 803444

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO2/c1-23-14-5-3-2-4-10(14)8-15(22)21-11-6-7-13(17)12(9-11)16(18,19)20/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeyWOJTXWSDRBMPRT-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.55
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 803444) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide
PubChem CID803444
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO2/c1-23-14-5-3-2-4-10(14)8-15(22)21-11-6-7-13(17)12(9-11)16(18,19)20/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeyWOJTXWSDRBMPRT-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide (CID 803444) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is WOJTXWSDRBMPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c1-23-14-5-3-2-4-10(14)8-15(22)21-11-6-7-13(17)12(9-11)16(18,19)20/h2-7,9H,8H2,1H3,(H,21,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 343.73 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 803444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).