3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide

C15H20F3N3O — CID 175229917

IUPAC3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
SMILESCC1CCN(CCNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N3O/c1-10-2-4-21(9-10)5-3-20-14(22)11-6-12(15(16,17)18)8-13(19)7-11/h6-8,10H,2-5,9,19H2,1H3,(H,20,22)
InChIKeyUQDNNQZTYMFYIR-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.36
Rot. Bonds4

About 3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide

3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide (PubChem CID 175229917) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
PubChem CID175229917
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
SMILESCC1CCN(CCNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3N3O/c1-10-2-4-21(9-10)5-3-20-14(22)11-6-12(15(16,17)18)8-13(19)7-11/h6-8,10H,2-5,9,19H2,1H3,(H,20,22)
InChIKeyUQDNNQZTYMFYIR-UHFFFAOYSA-N
XLogP2.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylpyrrolidin-1-yl)ethyl]-3-nitro-5-(trifluoromethyl)benzamide
CID 175229942
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681
3-amino-5-(trifluoromethyl)benzohydrazide
CID 90020746
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 175740538
3-nitro-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)benzamide
CID 163362867
3-amino-5-(trifluoromethyl)benzoic acid;ethane
CID 144657223
3-amino-N-[(2S)-2-(dimethylamino)propyl]-5-(trifluoromethyl)benzamide
CID 163362848
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47035939
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide (CID 175229917) is 3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide is CC1CCN(CCNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is UQDNNQZTYMFYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-10-2-4-21(9-10)5-3-20-14(22)11-6-12(15(16,17)18)8-13(19)7-11/h6-8,10H,2-5,9,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide?
3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 315.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-methylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 175229917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).