4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

C20H21F3N2O2 — CID 1395997

IUPAC4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1
InChIInChI=1S/C20H21F3N2O2/c1-2-27-16-8-5-14(6-9-16)19(26)24-17-13-15(20(21,22)23)7-10-18(17)25-11-3-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,24,26)
InChIKeyPEJYJTIDFDMXNJ-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.96
Rot. Bonds5

About 4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 1395997) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID1395997
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1
InChIInChI=1S/C20H21F3N2O2/c1-2-27-16-8-5-14(6-9-16)19(26)24-17-13-15(20(21,22)23)7-10-18(17)25-11-3-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,24,26)
InChIKeyPEJYJTIDFDMXNJ-UHFFFAOYSA-N
XLogP4.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
3-bromo-4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067330
4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3795149
4-phenylmethoxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2066084
4-propoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 3772412
3,5-diethoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 3425044
4-(2-methylpropoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3500229
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide
CID 1235281
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240
4-[(2S)-butan-2-yl]oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 40598598

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 1395997) is 4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is PEJYJTIDFDMXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-2-27-16-8-5-14(6-9-16)19(26)24-17-13-15(20(21,22)23)7-10-18(17)25-11-3-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,24,26).
What are the key properties of 4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 378.39 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1395997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).