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

C15H12Br2FNO — CID 114559308

IUPAC2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H12Br2FNO/c1-19(9-10-5-2-3-6-11(10)16)15(20)14-12(17)7-4-8-13(14)18/h2-8H,9H2,1H3
InChIKeyFPBWXZWEHUWMHK-UHFFFAOYSA-N
MW401.07 g/mol
LogP4.62
Rot. Bonds3

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

2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide (PubChem CID 114559308) has the molecular formula C15H12Br2FNO and a molecular weight of 401.07 g/mol. Its IUPAC name is 2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
PubChem CID114559308
Molecular FormulaC15H12Br2FNO
Molecular Weight401.07 g/mol
Exact Mass398.93
IUPAC Name2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1Br)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H12Br2FNO/c1-19(9-10-5-2-3-6-11(10)16)15(20)14-12(17)7-4-8-13(14)18/h2-8H,9H2,1H3
InChIKeyFPBWXZWEHUWMHK-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.07
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 115678696
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868
2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
CID 115678772
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide?
The IUPAC name of 2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide (CID 114559308) is 2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide is CN(Cc1ccccc1Br)C(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide?
The InChIKey is FPBWXZWEHUWMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO/c1-19(9-10-5-2-3-6-11(10)16)15(20)14-12(17)7-4-8-13(14)18/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide?
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide has a molecular weight of 401.07 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 114559308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).