N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide

C15H11BrF3NO2 — CID 57257792

IUPACN-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1ccc(C(F)(F)F)cc1OCc1ccccc1Br
InChIInChI=1S/C15H11BrF3NO2/c16-12-4-2-1-3-10(12)8-22-14-7-11(15(17,18)19)5-6-13(14)20-9-21/h1-7,9H,8H2,(H,20,21)
InChIKeyOLQMNHXFGYBUGO-UHFFFAOYSA-N
MW374.16 g/mol
LogP4.62
Rot. Bonds5

About N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide

N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide (PubChem CID 57257792) has the molecular formula C15H11BrF3NO2 and a molecular weight of 374.16 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide
PubChem CID57257792
Molecular FormulaC15H11BrF3NO2
Molecular Weight374.16 g/mol
Exact Mass372.99
IUPAC NameN-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1ccc(C(F)(F)F)cc1OCc1ccccc1Br
InChIInChI=1S/C15H11BrF3NO2/c16-12-4-2-1-3-10(12)8-22-14-7-11(15(17,18)19)5-6-13(14)20-9-21/h1-7,9H,8H2,(H,20,21)
InChIKeyOLQMNHXFGYBUGO-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide (CID 57257792) is N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide is O=CNc1ccc(C(F)(F)F)cc1OCc1ccccc1Br.
What is the InChIKey of N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide?
The InChIKey is OLQMNHXFGYBUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO2/c16-12-4-2-1-3-10(12)8-22-14-7-11(15(17,18)19)5-6-13(14)20-9-21/h1-7,9H,8H2,(H,20,21).
What are the key properties of N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide?
N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide has a molecular weight of 374.16 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)methoxy]-4-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 57257792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).