N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide

C21H23F3N2O — CID 16889920

IUPACN-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCCc1ccc(N2CCCC2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)19-8-2-1-7-18(19)20(27)25-13-5-6-16-9-11-17(12-10-16)26-14-3-4-15-26/h1-2,7-12H,3-6,13-15H2,(H,25,27)
InChIKeyTVDWSZYWVWAZQA-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.67
Rot. Bonds6

About N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide

N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide (PubChem CID 16889920) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide
PubChem CID16889920
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC NameN-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCCc1ccc(N2CCCC2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)19-8-2-1-7-18(19)20(27)25-13-5-6-16-9-11-17(12-10-16)26-14-3-4-15-26/h1-2,7-12H,3-6,13-15H2,(H,25,27)
InChIKeyTVDWSZYWVWAZQA-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892338
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 42266376
2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide
CID 16890198
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 51307429
1-[3-(4-fluorophenyl)propyl]-3-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]urea
CID 11295486
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl] N-[3-[4-(trifluoromethyl)phenyl]propyl]carbamate
CID 87427845

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide (CID 16889920) is N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide is O=C(NCCCc1ccc(N2CCCC2)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide?
The InChIKey is TVDWSZYWVWAZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c22-21(23,24)19-8-2-1-7-18(19)20(27)25-13-5-6-16-9-11-17(12-10-16)26-14-3-4-15-26/h1-2,7-12H,3-6,13-15H2,(H,25,27).
What are the key properties of N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide?
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide has a molecular weight of 376.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16889920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).