N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide

C17H16F3NO2 — CID 7044044

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO2/c1-23-15-7-5-12(6-8-15)9-10-21-16(22)13-3-2-4-14(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyPCFROJDIBIKVFV-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide

N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 7044044) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID7044044
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO2/c1-23-15-7-5-12(6-8-15)9-10-21-16(22)13-3-2-4-14(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyPCFROJDIBIKVFV-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide (CID 7044044) is N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide is COc1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PCFROJDIBIKVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-23-15-7-5-12(6-8-15)9-10-21-16(22)13-3-2-4-14(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide?
N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 323.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 7044044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).