3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide

C16H15Br2NO — CID 81472236

IUPAC3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2Br)cc1Br
InChIInChI=1S/C16H15Br2NO/c1-11-7-8-12(9-15(11)18)16(20)19(2)10-13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3
InChIKeyLTFSWKBNRGLEFD-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.79
Rot. Bonds3

About 3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide

3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide (PubChem CID 81472236) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
PubChem CID81472236
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2Br)cc1Br
InChIInChI=1S/C16H15Br2NO/c1-11-7-8-12(9-15(11)18)16(20)19(2)10-13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3
InChIKeyLTFSWKBNRGLEFD-UHFFFAOYSA-N
XLogP4.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-3,4-dihydroxy-N-methylbenzamide
CID 103955411
3-bromo-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 81458308
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 61094065
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 31215370
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide
CID 78794386
N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 60630938
N-[(2-bromophenyl)methyl]-3-cyano-N-methylbenzamide
CID 34867585
N-[(2-bromophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 32812242
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114325937
N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
CID 79466936
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide (CID 81472236) is 3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2ccccc2Br)cc1Br.
What is the InChIKey of 3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is LTFSWKBNRGLEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-11-7-8-12(9-15(11)18)16(20)19(2)10-13-5-3-4-6-14(13)17/h3-9H,10H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide?
3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide has a molecular weight of 397.11 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 81472236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).