2-[(2-bromo-4-fluorophenoxy)methyl]benzamide

C14H11BrFNO2 — CID 24710640

IUPAC2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccccc1COc1ccc(F)cc1Br
InChIInChI=1S/C14H11BrFNO2/c15-12-7-10(16)5-6-13(12)19-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8H2,(H2,17,18)
InChIKeyRSSSLUNZARHWQM-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.27
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenoxy)methyl]benzamide

2-[(2-bromo-4-fluorophenoxy)methyl]benzamide (PubChem CID 24710640) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenoxy)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
PubChem CID24710640
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccccc1COc1ccc(F)cc1Br
InChIInChI=1S/C14H11BrFNO2/c15-12-7-10(16)5-6-13(12)19-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8H2,(H2,17,18)
InChIKeyRSSSLUNZARHWQM-UHFFFAOYSA-N
XLogP3.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
CID 24704635
2-[(2-amino-5-fluorophenyl)methoxy]benzamide
CID 43443894
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
CID 43379987
5-amino-2-[(2-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956029
2-[(4-bromo-2-fluorophenyl)methoxy]benzamide
CID 7640045
N-[[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62451825
3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide
CID 107873441
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24692111
2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460810

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenoxy)methyl]benzamide?
The IUPAC name of 2-[(2-bromo-4-fluorophenoxy)methyl]benzamide (CID 24710640) is 2-[(2-bromo-4-fluorophenoxy)methyl]benzamide.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenoxy)methyl]benzamide?
The canonical SMILES for 2-[(2-bromo-4-fluorophenoxy)methyl]benzamide is NC(=O)c1ccccc1COc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenoxy)methyl]benzamide?
The InChIKey is RSSSLUNZARHWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-12-7-10(16)5-6-13(12)19-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8H2,(H2,17,18).
What are the key properties of 2-[(2-bromo-4-fluorophenoxy)methyl]benzamide?
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide has a molecular weight of 324.15 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenoxy)methyl]benzamide is sourced from PubChem (CID 24710640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).