2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide

C16H13Br2F2NO — CID 55885893

IUPAC2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H13Br2F2NO/c1-21(9-11-8-12(17)3-5-14(11)19)16(22)7-10-2-4-15(20)13(18)6-10/h2-6,8H,7,9H2,1H3
InChIKeyCCIFTTAOVUKQDB-UHFFFAOYSA-N
MW433.09 g/mol
LogP4.69
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide

2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 55885893) has the molecular formula C16H13Br2F2NO and a molecular weight of 433.09 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID55885893
Molecular FormulaC16H13Br2F2NO
Molecular Weight433.09 g/mol
Exact Mass430.93
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H13Br2F2NO/c1-21(9-11-8-12(17)3-5-14(11)19)16(22)7-10-2-4-15(20)13(18)6-10/h2-6,8H,7,9H2,1H3
InChIKeyCCIFTTAOVUKQDB-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.09
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylbutanamide
CID 115154295
2-amino-4-[(5-bromo-2-fluorophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 115181116
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 115155762
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide
CID 78865688
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178878
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154702
N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
CID 119659943
N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165774
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55596607
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005406
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide (CID 55885893) is 2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is CCIFTTAOVUKQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2F2NO/c1-21(9-11-8-12(17)3-5-14(11)19)16(22)7-10-2-4-15(20)13(18)6-10/h2-6,8H,7,9H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide?
2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 433.09 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55885893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).