N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride

C16H23ClFN3O2 — CID 119783278

IUPACN-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCCCNC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C16H22FN3O2.ClH/c17-13-4-1-3-11(9-13)15(21)19-7-2-8-20-16(22)12-5-6-14(18)10-12;/h1,3-4,9,12,14H,2,5-8,10,18H2,(H,19,21)(H,20,22);1H
InChIKeyNJBUKWYECPXKOS-UHFFFAOYSA-N
MW343.83 g/mol
LogP1.61
Rot. Bonds6

About N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride

N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride (PubChem CID 119783278) has the molecular formula C16H23ClFN3O2 and a molecular weight of 343.83 g/mol. Its IUPAC name is N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride
PubChem CID119783278
Molecular FormulaC16H23ClFN3O2
Molecular Weight343.83 g/mol
Exact Mass343.15
IUPAC NameN-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCCCNC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C16H22FN3O2.ClH/c17-13-4-1-3-11(9-13)15(21)19-7-2-8-20-16(22)12-5-6-14(18)10-12;/h1,3-4,9,12,14H,2,5-8,10,18H2,(H,19,21)(H,20,22);1H
InChIKeyNJBUKWYECPXKOS-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 51.61
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-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride
CID 119782980
3-[(3-aminocyclopentanecarbonyl)amino]-N-(3-fluorophenyl)benzamide
CID 119740416
N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119850152
N-[2-[(3-aminocyclohexanecarbonyl)amino]ethyl]-3-bromobenzamide
CID 119765634
3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119770305
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719955
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119814173
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119861519
3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride?
The IUPAC name of N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride (CID 119783278) is N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride is Cl.NC1CCC(C(=O)NCCCNC(=O)c2cccc(F)c2)C1.
What is the InChIKey of N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride?
The InChIKey is NJBUKWYECPXKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2.ClH/c17-13-4-1-3-11(9-13)15(21)19-7-2-8-20-16(22)12-5-6-14(18)10-12;/h1,3-4,9,12,14H,2,5-8,10,18H2,(H,19,21)(H,20,22);1H.
What are the key properties of N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride?
N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride has a molecular weight of 343.83 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119783278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).