2-(4-bromophenoxy)-4-methylbenzamide

C14H12BrNO2 — CID 62308096

IUPAC2-(4-bromophenoxy)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C14H12BrNO2/c1-9-2-7-12(14(16)17)13(8-9)18-11-5-3-10(15)4-6-11/h2-8H,1H3,(H2,16,17)
InChIKeyYXKCIWXBHOPAOJ-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.65
Rot. Bonds3

About 2-(4-bromophenoxy)-4-methylbenzamide

2-(4-bromophenoxy)-4-methylbenzamide (PubChem CID 62308096) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-4-methylbenzamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-4-methylbenzamide
PubChem CID62308096
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name2-(4-bromophenoxy)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C14H12BrNO2/c1-9-2-7-12(14(16)17)13(8-9)18-11-5-3-10(15)4-6-11/h2-8H,1H3,(H2,16,17)
InChIKeyYXKCIWXBHOPAOJ-UHFFFAOYSA-N
XLogP3.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenoxy)-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033
2-[4-(aminomethyl)phenoxy]-4-methylbenzamide
CID 106485646
2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide
CID 83233548
4-(2-bromo-4-methylphenoxy)-2-methylbenzamide
CID 81273209
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
[2-(4-bromophenoxy)-4-methylphenyl] formate
CID 135130123
2-bromo-4-(2-chloro-4-methylphenoxy)benzenecarbothioamide
CID 107278376

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-4-methylbenzamide?
The IUPAC name of 2-(4-bromophenoxy)-4-methylbenzamide (CID 62308096) is 2-(4-bromophenoxy)-4-methylbenzamide.
What is the SMILES notation for 2-(4-bromophenoxy)-4-methylbenzamide?
The canonical SMILES for 2-(4-bromophenoxy)-4-methylbenzamide is Cc1ccc(C(N)=O)c(Oc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-4-methylbenzamide?
The InChIKey is YXKCIWXBHOPAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-9-2-7-12(14(16)17)13(8-9)18-11-5-3-10(15)4-6-11/h2-8H,1H3,(H2,16,17).
What are the key properties of 2-(4-bromophenoxy)-4-methylbenzamide?
2-(4-bromophenoxy)-4-methylbenzamide has a molecular weight of 306.16 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-4-methylbenzamide is sourced from PubChem (CID 62308096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).