N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C20H21F3N2O2 — CID 55368523

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCNC(=O)CN(CC)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c1-3-24-18(26)13-25(4-2)19(27)17-8-6-5-7-16(17)14-9-11-15(12-10-14)20(21,22)23/h5-12H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyYVVVJRMSQQHLHD-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.97
Rot. Bonds6

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 55368523) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID55368523
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCNC(=O)CN(CC)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c1-3-24-18(26)13-25(4-2)19(27)17-8-6-5-7-16(17)14-9-11-15(12-10-14)20(21,22)23/h5-12H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyYVVVJRMSQQHLHD-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 55368523) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide is CCNC(=O)CN(CC)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YVVVJRMSQQHLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-3-24-18(26)13-25(4-2)19(27)17-8-6-5-7-16(17)14-9-11-15(12-10-14)20(21,22)23/h5-12H,3-4,13H2,1-2H3,(H,24,26).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 378.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55368523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).