N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide

C20H21F3N2O — CID 58315684

IUPACN-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)16-8-6-15(7-9-16)19(26)25-18-11-4-14(5-12-18)3-10-17-2-1-13-24-17/h4-9,11-12,17,24H,1-3,10,13H2,(H,25,26)
InChIKeyAIQBPKOKHDISMC-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.64
Rot. Bonds5

About N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide

N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 58315684) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID58315684
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)16-8-6-15(7-9-16)19(26)25-18-11-4-14(5-12-18)3-10-17-2-1-13-24-17/h4-9,11-12,17,24H,1-3,10,13H2,(H,25,26)
InChIKeyAIQBPKOKHDISMC-UHFFFAOYSA-N
XLogP4.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide (CID 58315684) is N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is AIQBPKOKHDISMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c21-20(22,23)16-8-6-15(7-9-16)19(26)25-18-11-4-14(5-12-18)3-10-17-2-1-13-24-17/h4-9,11-12,17,24H,1-3,10,13H2,(H,25,26).
What are the key properties of N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide?
N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 362.40 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 58315684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).