3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide

C17H17Br2NO — CID 55833713

IUPAC3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCc1ccccc1Br
InChIInChI=1S/C17H17Br2NO/c1-20(12-14-7-3-5-9-16(14)19)17(21)11-10-13-6-2-4-8-15(13)18/h2-9H,10-12H2,1H3
InChIKeyPGSHPMVDONENLI-UHFFFAOYSA-N
MW411.14 g/mol
LogP4.80
Rot. Bonds5

About 3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide

3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide (PubChem CID 55833713) has the molecular formula C17H17Br2NO and a molecular weight of 411.14 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
PubChem CID55833713
Molecular FormulaC17H17Br2NO
Molecular Weight411.14 g/mol
Exact Mass408.97
IUPAC Name3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCc1ccccc1Br
InChIInChI=1S/C17H17Br2NO/c1-20(12-14-7-3-5-9-16(14)19)17(21)11-10-13-6-2-4-8-15(13)18/h2-9H,10-12H2,1H3
InChIKeyPGSHPMVDONENLI-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.14
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 16769580
3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55833951
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 52669946
N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78780684
N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
CID 134971218
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
3-[bis(dimethylamino)methylideneamino]-N-[(2-bromophenyl)methyl]-N-methylpropanamide;hydroiodide
CID 111808087
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide (CID 55833713) is 3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide is CN(Cc1ccccc1Br)C(=O)CCc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
The InChIKey is PGSHPMVDONENLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO/c1-20(12-14-7-3-5-9-16(14)19)17(21)11-10-13-6-2-4-8-15(13)18/h2-9H,10-12H2,1H3.
What are the key properties of 3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide has a molecular weight of 411.14 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 55833713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).