2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide

C14H11BrFNO2 — CID 83233548

IUPAC2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H11BrFNO2/c1-8-2-4-10(14(17)18)13(6-8)19-9-3-5-12(16)11(15)7-9/h2-7H,1H3,(H2,17,18)
InChIKeyYSIZIMIDLJOIAW-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.79
Rot. Bonds3

About 2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide

2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide (PubChem CID 83233548) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide
PubChem CID83233548
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H11BrFNO2/c1-8-2-4-10(14(17)18)13(6-8)19-9-3-5-12(16)11(15)7-9/h2-7H,1H3,(H2,17,18)
InChIKeyYSIZIMIDLJOIAW-UHFFFAOYSA-N
XLogP3.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-4-methylbenzamide
CID 62308096
2-bromo-4-(2-fluoro-5-methylphenoxy)benzoic acid
CID 107282560
2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033
5-amino-2-(3-bromo-4-fluorophenoxy)benzamide
CID 83234649
4-(2-bromo-4-methylphenoxy)-2-methylbenzamide
CID 81273209
2-(3-bromo-4-fluorophenoxy)-5-methylaniline
CID 83231708
2-(3-bromo-4-fluorophenoxy)-4-chlorobenzenecarbothioamide
CID 83233048
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465
2-[4-(aminomethyl)phenoxy]-4-methylbenzamide
CID 106485646
4-(2-fluoro-5-methylphenoxy)-2-methylbenzenecarbothioamide
CID 81277338
4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
CID 83233647
1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone
CID 104529391

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide (CID 83233548) is 2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide is Cc1ccc(C(N)=O)c(Oc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide?
The InChIKey is YSIZIMIDLJOIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-8-2-4-10(14(17)18)13(6-8)19-9-3-5-12(16)11(15)7-9/h2-7H,1H3,(H2,17,18).
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide?
2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide is sourced from PubChem (CID 83233548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).