N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide

C10H12BrFN2O — CID 62686241

IUPACN-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
SMILESCN(CCN)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-14(5-4-13)10(15)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5,13H2,1H3
InChIKeyJRVDQXFBNMMJOM-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.62
Rot. Bonds3

About N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide

N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide (PubChem CID 62686241) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
PubChem CID62686241
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC NameN-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
SMILESCN(CCN)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-14(5-4-13)10(15)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5,13H2,1H3
InChIKeyJRVDQXFBNMMJOM-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 62686238
2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43216100
2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43296128
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 60955626
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
CID 79668083
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide (CID 62686241) is N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide is CN(CCN)C(=O)c1cc(F)ccc1Br.
What is the InChIKey of N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide?
The InChIKey is JRVDQXFBNMMJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-14(5-4-13)10(15)8-6-7(12)2-3-9(8)11/h2-3,6H,4-5,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide?
N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide has a molecular weight of 275.12 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 62686241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).