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

C16H13ClF3NO — CID 2126655

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO/c17-14-6-4-11(5-7-14)8-9-21-15(22)12-2-1-3-13(10-12)16(18,19)20/h1-7,10H,8-9H2,(H,21,22)
InChIKeyICVYGBFSASPDMK-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.33
Rot. Bonds4

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

N-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 2126655) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID2126655
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO/c17-14-6-4-11(5-7-14)8-9-21-15(22)12-2-1-3-13(10-12)16(18,19)20/h1-7,10H,8-9H2,(H,21,22)
InChIKeyICVYGBFSASPDMK-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
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)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide (CID 2126655) is N-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ICVYGBFSASPDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c17-14-6-4-11(5-7-14)8-9-21-15(22)12-2-1-3-13(10-12)16(18,19)20/h1-7,10H,8-9H2,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 327.73 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2126655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).