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

C20H21F3N2O — CID 25175633

IUPACN-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H21F3N2O/c1-2-14-6-5-7-16(12-14)24-19(26)15-8-9-18(25-10-3-4-11-25)17(13-15)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)
InChIKeyXESKVJLHQVMKDM-UHFFFAOYSA-N
MW362.40 g/mol
LogP5.12
Rot. Bonds4

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

N-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (PubChem CID 25175633) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
PubChem CID25175633
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H21F3N2O/c1-2-14-6-5-7-16(12-14)24-19(26)15-8-9-18(25-10-3-4-11-25)17(13-15)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)
InChIKeyXESKVJLHQVMKDM-UHFFFAOYSA-N
XLogP5.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (CID 25175633) is N-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is CCc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The InChIKey is XESKVJLHQVMKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-2-14-6-5-7-16(12-14)24-19(26)15-8-9-18(25-10-3-4-11-25)17(13-15)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26).
What are the key properties of N-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
N-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide has a molecular weight of 362.40 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25175633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).