3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride

C22H28ClFN2O — CID 120611880

IUPAC3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)N(CCc1cccc(F)c1)C1CCCC1
InChIInChI=1S/C22H27FN2O.ClH/c23-19-8-5-6-17(16-19)14-15-25(20-9-2-3-10-20)22(26)13-12-18-7-1-4-11-21(18)24;/h1,4-8,11,16,20H,2-3,9-10,12-15,24H2;1H
InChIKeyPCTVHPCGYQGDIN-UHFFFAOYSA-N
MW390.93 g/mol
LogP4.78
Rot. Bonds7

About 3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride (PubChem CID 120611880) has the molecular formula C22H28ClFN2O and a molecular weight of 390.93 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride
PubChem CID120611880
Molecular FormulaC22H28ClFN2O
Molecular Weight390.93 g/mol
Exact Mass390.19
IUPAC Name3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)N(CCc1cccc(F)c1)C1CCCC1
InChIInChI=1S/C22H27FN2O.ClH/c23-19-8-5-6-17(16-19)14-15-25(20-9-2-3-10-20)22(26)13-12-18-7-1-4-11-21(18)24;/h1,4-8,11,16,20H,2-3,9-10,12-15,24H2;1H
InChIKeyPCTVHPCGYQGDIN-UHFFFAOYSA-N
XLogP4.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide
CID 120611849
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride
CID 120608805
N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119821577
[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 69165945
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639014
4-[[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024382

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride (CID 120611880) is 3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)N(CCc1cccc(F)c1)C1CCCC1.
What is the InChIKey of 3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride?
The InChIKey is PCTVHPCGYQGDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O.ClH/c23-19-8-5-6-17(16-19)14-15-25(20-9-2-3-10-20)22(26)13-12-18-7-1-4-11-21(18)24;/h1,4-8,11,16,20H,2-3,9-10,12-15,24H2;1H.
What are the key properties of 3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride has a molecular weight of 390.93 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120611880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).