N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride

C15H21ClFN3O2 — CID 119299556

IUPACN-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
SMILESCl.NC1(C(=O)NCCNC(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H20FN3O2.ClH/c16-12-5-3-11(4-6-12)13(20)18-9-10-19-14(21)15(17)7-1-2-8-15;/h3-6H,1-2,7-10,17H2,(H,18,20)(H,19,21);1H
InChIKeyVZLONMDWTSZBOI-UHFFFAOYSA-N
MW329.80 g/mol
LogP1.37
Rot. Bonds5

About N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride

N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride (PubChem CID 119299556) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
PubChem CID119299556
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC NameN-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
SMILESCl.NC1(C(=O)NCCNC(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H20FN3O2.ClH/c16-12-5-3-11(4-6-12)13(20)18-9-10-19-14(21)15(17)7-1-2-8-15;/h3-6H,1-2,7-10,17H2,(H,18,20)(H,19,21);1H
InChIKeyVZLONMDWTSZBOI-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
CID 119742010
N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119278245
N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119742072
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride
CID 119295324
1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide
CID 119268295
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119881589
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 60867022
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[2-(3-aminopropanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299548
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride (CID 119299556) is N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride is Cl.NC1(C(=O)NCCNC(=O)c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is VZLONMDWTSZBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2.ClH/c16-12-5-3-11(4-6-12)13(20)18-9-10-19-14(21)15(17)7-1-2-8-15;/h3-6H,1-2,7-10,17H2,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride?
N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 329.80 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119299556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).