N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide

C15H18F3N3O2 — CID 119632784

IUPACN-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCCC2CN)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2/c1-9(22)20-12-6-10(5-11(7-12)15(16,17)18)14(23)21-4-2-3-13(21)8-19/h5-7,13H,2-4,8,19H2,1H3,(H,20,22)
InChIKeyYKVMXGGBSSGURX-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.23
Rot. Bonds3

About N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide

N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 119632784) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
PubChem CID119632784
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC NameN-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCCC2CN)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2/c1-9(22)20-12-6-10(5-11(7-12)15(16,17)18)14(23)21-4-2-3-13(21)8-19/h5-7,13H,2-4,8,19H2,1H3,(H,20,22)
InChIKeyYKVMXGGBSSGURX-UHFFFAOYSA-N
XLogP2.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119485287
N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119374898
[3,5-bis(trifluoromethyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71884403
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120817279
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 120807147
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119646337
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119631292
N-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119623576
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide
CID 119602942
4-[3-acetamido-5-(trifluoromethyl)benzoyl]morpholine-3-carboxylic acid
CID 120521872
3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea
CID 119633495

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide (CID 119632784) is N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCCC2CN)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YKVMXGGBSSGURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-9(22)20-12-6-10(5-11(7-12)15(16,17)18)14(23)21-4-2-3-13(21)8-19/h5-7,13H,2-4,8,19H2,1H3,(H,20,22).
What are the key properties of N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide?
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 329.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 119632784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).