N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride

C15H17BrClFN4O2 — CID 120861177

IUPACN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride
SMILESCl.NC1(c2noc(CCNC(=O)c3cc(F)ccc3Br)n2)CCC1
InChIInChI=1S/C15H16BrFN4O2.ClH/c16-11-3-2-9(17)8-10(11)13(22)19-7-4-12-20-14(21-23-12)15(18)5-1-6-15;/h2-3,8H,1,4-7,18H2,(H,19,22);1H
InChIKeyPDCLZLCSWMAIIO-UHFFFAOYSA-N
MW419.68 g/mol
LogP2.70
Rot. Bonds5

About N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride

N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride (PubChem CID 120861177) has the molecular formula C15H17BrClFN4O2 and a molecular weight of 419.68 g/mol. Its IUPAC name is N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride
PubChem CID120861177
Molecular FormulaC15H17BrClFN4O2
Molecular Weight419.68 g/mol
Exact Mass418.02
IUPAC NameN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride
SMILESCl.NC1(c2noc(CCNC(=O)c3cc(F)ccc3Br)n2)CCC1
InChIInChI=1S/C15H16BrFN4O2.ClH/c16-11-3-2-9(17)8-10(11)13(22)19-7-4-12-20-14(21-23-12)15(18)5-1-6-15;/h2-3,8H,1,4-7,18H2,(H,19,22);1H
InChIKeyPDCLZLCSWMAIIO-UHFFFAOYSA-N
XLogP2.70
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.68
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride with MolForge

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Related Compounds

2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(4-bromophenyl)urea;hydrochloride
CID 120853244
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-nitrobenzamide
CID 120850141
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
1-[5-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862580
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride
CID 120807548
N-[3-(azocan-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 51118035
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzenesulfonamide
CID 120863376
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 120851636
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethylphenyl)propan-1-one;hydrochloride
CID 120858607
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861786

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride?
The IUPAC name of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride (CID 120861177) is N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride is Cl.NC1(c2noc(CCNC(=O)c3cc(F)ccc3Br)n2)CCC1.
What is the InChIKey of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride?
The InChIKey is PDCLZLCSWMAIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN4O2.ClH/c16-11-3-2-9(17)8-10(11)13(22)19-7-4-12-20-14(21-23-12)15(18)5-1-6-15;/h2-3,8H,1,4-7,18H2,(H,19,22);1H.
What are the key properties of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride?
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride has a molecular weight of 419.68 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-bromo-5-fluorobenzamide;hydrochloride is sourced from PubChem (CID 120861177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).