N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide

C20H21F3N2O2 — CID 25175634

IUPACN-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESCCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)
InChIKeyKLFVWQCQUXXLOU-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.96
Rot. Bonds5

About N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide

N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (PubChem CID 25175634) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
PubChem CID25175634
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESCCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)
InChIKeyKLFVWQCQUXXLOU-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

Flutolanil
CID 47898
N-{4-methyl-3-[(2-oxo-1,3-dihydroindol-5-yl)oxy]phenyl}-4-[(1-methylpiperidin-4-yl)oxy]-3-(trifluoromethyl)benzamide (2)
CID 118009696
1-N,3-N-bis(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 138884
4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)-2H-chromen-7-yl]benzamide
CID 70688018
4-amino-N-[1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-yl]benzamide
CID 168273062
N-(3-methoxyphenyl)-1-(methylsulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 1085739
2-phenoxy-N-[4-(pyrrolidinylcarbonyl)phenyl]acetamide
CID 1246899
N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 2524725
N1-{3-[3-(acetylamino)phenoxy]propyl}-4-(tert-butyl)benzamide
CID 2802629
N-(3-methoxyphenyl)-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxamide
CID 1939777
4-(2-{[4-(4-Fluoro-phenyl)-4-oxo-butyl]-methyl-amino}-ethoxy)-1,3-dihydro-indol-2-one
CID 10714219
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CID 17683052

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (CID 25175634) is N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is CCOc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The InChIKey is KLFVWQCQUXXLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26).
What are the key properties of N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)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 N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25175634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).