N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide

C17H21F3N2O2 — CID 71998420

IUPACN-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide
SMILESCCNC(=O)CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H21F3N2O2/c1-2-21-14(23)7-8-15(24)22-16(9-4-10-16)12-5-3-6-13(11-12)17(18,19)20/h3,5-6,11H,2,4,7-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyUSPCYKCDBRSAFA-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.12
Rot. Bonds6

About N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide

N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide (PubChem CID 71998420) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide.

Molecular Properties

Compound NameN-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide
PubChem CID71998420
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide
SMILESCCNC(=O)CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H21F3N2O2/c1-2-21-14(23)7-8-15(24)22-16(9-4-10-16)12-5-3-6-13(11-12)17(18,19)20/h3,5-6,11H,2,4,7-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyUSPCYKCDBRSAFA-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide?
The IUPAC name of N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide (CID 71998420) is N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide.
What is the SMILES notation for N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide?
The canonical SMILES for N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide is CCNC(=O)CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide?
The InChIKey is USPCYKCDBRSAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-2-21-14(23)7-8-15(24)22-16(9-4-10-16)12-5-3-6-13(11-12)17(18,19)20/h3,5-6,11H,2,4,7-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide?
N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide has a molecular weight of 342.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide is sourced from PubChem (CID 71998420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).