1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride

C17H26ClFN2O — CID 119325475

IUPAC1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride
SMILESCCCN(CCc1cccc(F)c1)C(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-2-11-20(16(21)17(19)9-3-4-10-17)12-8-14-6-5-7-15(18)13-14;/h5-7,13H,2-4,8-12,19H2,1H3;1H
InChIKeyQVHNJNBPQXZPPM-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.30
Rot. Bonds6

About 1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride

1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119325475) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is 1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119325475
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC Name1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride
SMILESCCCN(CCc1cccc(F)c1)C(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-2-11-20(16(21)17(19)9-3-4-10-17)12-8-14-6-5-7-15(18)13-14;/h5-7,13H,2-4,8-12,19H2,1H3;1H
InChIKeyQVHNJNBPQXZPPM-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119786800
3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride
CID 120500930
2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride
CID 119786850
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide
CID 119325474
1-amino-N-ethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 60947468
1-amino-N,N-dipropylcyclobutane-1-carboxamide
CID 81167159
1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116558669
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
(E)-4-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]-N-propylbut-2-enamide
CID 146101000
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
CID 120793404
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 81489842

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride (CID 119325475) is 1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride is CCCN(CCc1cccc(F)c1)C(=O)C1(N)CCCC1.Cl.
What is the InChIKey of 1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is QVHNJNBPQXZPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-2-11-20(16(21)17(19)9-3-4-10-17)12-8-14-6-5-7-15(18)13-14;/h5-7,13H,2-4,8-12,19H2,1H3;1H.
What are the key properties of 1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119325475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).