N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide

C10H9BrF3NO — CID 55139376

IUPACN-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-15(9(16)10(12,13)14)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChIKeyVIKCFYOQCKFKQN-UHFFFAOYSA-N
MW296.09 g/mol
LogP2.97
Rot. Bonds2

About N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide

N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 55139376) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID55139376
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC NameN-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-15(9(16)10(12,13)14)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChIKeyVIKCFYOQCKFKQN-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide (CID 55139376) is N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide is CN(Cc1ccc(Br)cc1)C(=O)C(F)(F)F.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is VIKCFYOQCKFKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-15(9(16)10(12,13)14)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 296.09 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 55139376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).