N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide

C16H16BrFN2O — CID 104547382

IUPACN-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C16H16BrFN2O/c1-19-9-8-11-4-2-3-5-13(11)16(21)20-15-7-6-12(18)10-14(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyRJGPZMDAIWJXAA-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.60
Rot. Bonds5

About N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide

N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide (PubChem CID 104547382) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide
PubChem CID104547382
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C16H16BrFN2O/c1-19-9-8-11-4-2-3-5-13(11)16(21)20-15-7-6-12(18)10-14(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyRJGPZMDAIWJXAA-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104548150
N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547383
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613286
2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide
CID 79766785
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613196
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166982
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
N-(2-bromo-4-fluorophenyl)-2-(2-fluorophenyl)acetamide
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N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
CID 87114822

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide (CID 104547382) is N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide is CNCCc1ccccc1C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is RJGPZMDAIWJXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-19-9-8-11-4-2-3-5-13(11)16(21)20-15-7-6-12(18)10-14(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide?
N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 351.22 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 104547382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).