3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride

C18H26ClFN2O2 — CID 119759143

IUPAC3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)N(Cc2cccc(F)c2)CC2CCCO2)C1
InChIInChI=1S/C18H25FN2O2.ClH/c19-15-4-1-3-13(9-15)11-21(12-17-5-2-8-23-17)18(22)14-6-7-16(20)10-14;/h1,3-4,9,14,16-17H,2,5-8,10-12,20H2;1H
InChIKeyGXEXJQSSAHKCCB-UHFFFAOYSA-N
MW356.87 g/mol
LogP2.88
Rot. Bonds5

About 3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119759143) has the molecular formula C18H26ClFN2O2 and a molecular weight of 356.87 g/mol. Its IUPAC name is 3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119759143
Molecular FormulaC18H26ClFN2O2
Molecular Weight356.87 g/mol
Exact Mass356.17
IUPAC Name3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)N(Cc2cccc(F)c2)CC2CCCO2)C1
InChIInChI=1S/C18H25FN2O2.ClH/c19-15-4-1-3-13(9-15)11-21(12-17-5-2-8-23-17)18(22)14-6-7-16(20)10-14;/h1,3-4,9,14,16-17H,2,5-8,10-12,20H2;1H
InChIKeyGXEXJQSSAHKCCB-UHFFFAOYSA-N
XLogP2.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;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

3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 119759146
3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 119753278
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951
(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
CID 94348949
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71876169
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
(2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid
CID 136584620
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 99804168
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride (CID 119759143) is 3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)N(Cc2cccc(F)c2)CC2CCCO2)C1.
What is the InChIKey of 3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is GXEXJQSSAHKCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2.ClH/c19-15-4-1-3-13(9-15)11-21(12-17-5-2-8-23-17)18(22)14-6-7-16(20)10-14;/h1,3-4,9,14,16-17H,2,5-8,10-12,20H2;1H.
What are the key properties of 3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 356.87 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119759143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).