N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide

C17H23F3N2O2 — CID 120604985

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide
SMILESCOCCC1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C17H23F3N2O2/c1-24-7-6-16(4-2-3-5-16)15(23)22-14-9-12(11-21)8-13(10-14)17(18,19)20/h8-10H,2-7,11,21H2,1H3,(H,22,23)
InChIKeyHNGFVVBEDWCJGM-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.70
Rot. Bonds6

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide (PubChem CID 120604985) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide
PubChem CID120604985
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide
SMILESCOCCC1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C17H23F3N2O2/c1-24-7-6-16(4-2-3-5-16)15(23)22-14-9-12(11-21)8-13(10-14)17(18,19)20/h8-10H,2-7,11,21H2,1H3,(H,22,23)
InChIKeyHNGFVVBEDWCJGM-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetamido-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120604779
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 120604881
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide
CID 120605277
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120604864
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 120605696
2-[acetyl(methyl)amino]-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]acetamide
CID 120605357
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide;hydrochloride
CID 120604922
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 115453437

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide (CID 120604985) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide is COCCC1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide?
The InChIKey is HNGFVVBEDWCJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-24-7-6-16(4-2-3-5-16)15(23)22-14-9-12(11-21)8-13(10-14)17(18,19)20/h8-10H,2-7,11,21H2,1H3,(H,22,23).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 120604985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).