N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide

C15H14BrFN2O — CID 114558373

IUPACN-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1N)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-19(9-10-5-2-3-8-13(10)18)15(20)14-11(16)6-4-7-12(14)17/h2-8H,9,18H2,1H3
InChIKeyGWWWTYOOTOPLMV-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.44
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide

N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide (PubChem CID 114558373) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
PubChem CID114558373
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1N)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-19(9-10-5-2-3-8-13(10)18)15(20)14-11(16)6-4-7-12(14)17/h2-8H,9,18H2,1H3
InChIKeyGWWWTYOOTOPLMV-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 115678696
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107986287
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114560773
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide (CID 114558373) is N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide is CN(Cc1ccccc1N)C(=O)c1c(F)cccc1Br.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide?
The InChIKey is GWWWTYOOTOPLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-19(9-10-5-2-3-8-13(10)18)15(20)14-11(16)6-4-7-12(14)17/h2-8H,9,18H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide?
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide has a molecular weight of 337.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 114558373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).