3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride

C17H23ClF3N3O2 — CID 119732638

IUPAC3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(Cc1cccc(NC(=O)C2CCC(N)C2)c1)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C17H22F3N3O2.ClH/c1-2-23(16(25)17(18,19)20)10-11-4-3-5-14(8-11)22-15(24)12-6-7-13(21)9-12;/h3-5,8,12-13H,2,6-7,9-10,21H2,1H3,(H,22,24);1H
InChIKeyXOIDHJQGCQRTKC-UHFFFAOYSA-N
MW393.84 g/mol
LogP3.09
Rot. Bonds5

About 3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119732638) has the molecular formula C17H23ClF3N3O2 and a molecular weight of 393.84 g/mol. Its IUPAC name is 3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119732638
Molecular FormulaC17H23ClF3N3O2
Molecular Weight393.84 g/mol
Exact Mass393.14
IUPAC Name3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(Cc1cccc(NC(=O)C2CCC(N)C2)c1)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C17H22F3N3O2.ClH/c1-2-23(16(25)17(18,19)20)10-11-4-3-5-14(8-11)22-15(24)12-6-7-13(21)9-12;/h3-5,8,12-13H,2,6-7,9-10,21H2,1H3,(H,22,24);1H
InChIKeyXOIDHJQGCQRTKC-UHFFFAOYSA-N
XLogP3.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
CID 119732249
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119732670
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43072108
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119685392
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide
CID 119685393
N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride
CID 119732650
5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
CID 119731750
9-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985748
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55674063
3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119754336
3-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119801057
methyl 3-[[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]propanoate;hydrochloride
CID 119775578

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119732638) is 3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride is CCN(Cc1cccc(NC(=O)C2CCC(N)C2)c1)C(=O)C(F)(F)F.Cl.
What is the InChIKey of 3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is XOIDHJQGCQRTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2.ClH/c1-2-23(16(25)17(18,19)20)10-11-4-3-5-14(8-11)22-15(24)12-6-7-13(21)9-12;/h3-5,8,12-13H,2,6-7,9-10,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 393.84 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119732638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).