2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride

C12H17BrClFN2O — CID 120651990

IUPAC2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(F)ccc1Br.Cl
InChIInChI=1S/C12H16BrFN2O.ClH/c1-3-15-8(2)7-16-12(17)10-6-9(14)4-5-11(10)13;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1
InChIKeyFPAKXHMKRKXFJB-DDWIOCJRSA-N
MW339.64 g/mol
LogP2.74
Rot. Bonds5

About 2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride

2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride (PubChem CID 120651990) has the molecular formula C12H17BrClFN2O and a molecular weight of 339.64 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
PubChem CID120651990
Molecular FormulaC12H17BrClFN2O
Molecular Weight339.64 g/mol
Exact Mass338.02
IUPAC Name2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(F)ccc1Br.Cl
InChIInChI=1S/C12H16BrFN2O.ClH/c1-3-15-8(2)7-16-12(17)10-6-9(14)4-5-11(10)13;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1
InChIKeyFPAKXHMKRKXFJB-DDWIOCJRSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.64
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
2-[[(2-bromo-5-fluorobenzoyl)amino]methyl]butanoic acid
CID 65218202
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
CID 115583771

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride?
The IUPAC name of 2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride (CID 120651990) is 2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride.
What is the SMILES notation for 2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride?
The canonical SMILES for 2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1cc(F)ccc1Br.Cl.
What is the InChIKey of 2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride?
The InChIKey is FPAKXHMKRKXFJB-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H16BrFN2O.ClH/c1-3-15-8(2)7-16-12(17)10-6-9(14)4-5-11(10)13;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1.
What are the key properties of 2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride?
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride has a molecular weight of 339.64 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride is sourced from PubChem (CID 120651990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).