N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride

C18H25ClF3N3O2 — CID 120605176

IUPACN-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
SMILESCC(CC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)NC(=O)C1CCCC1.Cl
InChIInChI=1S/C18H24F3N3O2.ClH/c1-11(23-17(26)13-4-2-3-5-13)6-16(25)24-15-8-12(10-22)7-14(9-15)18(19,20)21;/h7-9,11,13H,2-6,10,22H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyGCIPNRXTFOMWGI-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.61
Rot. Bonds6

About N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride

N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride (PubChem CID 120605176) has the molecular formula C18H25ClF3N3O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
PubChem CID120605176
Molecular FormulaC18H25ClF3N3O2
Molecular Weight407.86 g/mol
Exact Mass407.16
IUPAC NameN-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
SMILESCC(CC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)NC(=O)C1CCCC1.Cl
InChIInChI=1S/C18H24F3N3O2.ClH/c1-11(23-17(26)13-4-2-3-5-13)6-16(25)24-15-8-12(10-22)7-14(9-15)18(19,20)21;/h7-9,11,13H,2-6,10,22H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyGCIPNRXTFOMWGI-UHFFFAOYSA-N
XLogP3.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride 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

N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120605177
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 120604600
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide
CID 120604549
N-[2-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
CID 120604730
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 120605696
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
CID 120605354
N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 75425431
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide;hydrochloride
CID 120604922

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride (CID 120605176) is N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride is CC(CC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)NC(=O)C1CCCC1.Cl.
What is the InChIKey of N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride?
The InChIKey is GCIPNRXTFOMWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2.ClH/c1-11(23-17(26)13-4-2-3-5-13)6-16(25)24-15-8-12(10-22)7-14(9-15)18(19,20)21;/h7-9,11,13H,2-6,10,22H2,1H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride?
N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride has a molecular weight of 407.86 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride is sourced from PubChem (CID 120605176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).