N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride

C11H15BrClFN2O — CID 119499518

IUPACN-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc(F)ccc1Br.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-7(14)4-5-15-11(16)9-6-8(13)2-3-10(9)12;/h2-3,6-7H,4-5,14H2,1H3,(H,15,16);1H
InChIKeyUGCBNKXVMBIWBH-UHFFFAOYSA-N
MW325.61 g/mol
LogP2.48
Rot. Bonds4

About N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride

N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride (PubChem CID 119499518) has the molecular formula C11H15BrClFN2O and a molecular weight of 325.61 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
PubChem CID119499518
Molecular FormulaC11H15BrClFN2O
Molecular Weight325.61 g/mol
Exact Mass324.00
IUPAC NameN-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc(F)ccc1Br.Cl
InChIInChI=1S/C11H14BrFN2O.ClH/c1-7(14)4-5-15-11(16)9-6-8(13)2-3-10(9)12;/h2-3,6-7H,4-5,14H2,1H3,(H,15,16);1H
InChIKeyUGCBNKXVMBIWBH-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.61
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-2-chloro-4-fluorobenzamide
CID 63254096
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
CID 18160843
2-bromo-N-(3-bromo-4-methoxybutyl)-5-fluorobenzamide
CID 114163364
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 119583493
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
CID 115583771
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride (CID 119499518) is N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride is CC(N)CCNC(=O)c1cc(F)ccc1Br.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride?
The InChIKey is UGCBNKXVMBIWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O.ClH/c1-7(14)4-5-15-11(16)9-6-8(13)2-3-10(9)12;/h2-3,6-7H,4-5,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride?
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride has a molecular weight of 325.61 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119499518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).