4-(2-bromo-4-methylphenoxy)-2-methylbenzamide

C15H14BrNO2 — CID 81273209

IUPAC4-(2-bromo-4-methylphenoxy)-2-methylbenzamide
SMILESCc1ccc(Oc2ccc(C(N)=O)c(C)c2)c(Br)c1
InChIInChI=1S/C15H14BrNO2/c1-9-3-6-14(13(16)7-9)19-11-4-5-12(15(17)18)10(2)8-11/h3-8H,1-2H3,(H2,17,18)
InChIKeyPNZQJZGZFSBHSR-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.96
Rot. Bonds3

About 4-(2-bromo-4-methylphenoxy)-2-methylbenzamide

4-(2-bromo-4-methylphenoxy)-2-methylbenzamide (PubChem CID 81273209) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-2-methylbenzamide.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-2-methylbenzamide
PubChem CID81273209
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-(2-bromo-4-methylphenoxy)-2-methylbenzamide
SMILESCc1ccc(Oc2ccc(C(N)=O)c(C)c2)c(Br)c1
InChIInChI=1S/C15H14BrNO2/c1-9-3-6-14(13(16)7-9)19-11-4-5-12(15(17)18)10(2)8-11/h3-8H,1-2H3,(H2,17,18)
InChIKeyPNZQJZGZFSBHSR-UHFFFAOYSA-N
XLogP3.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-4-methylbenzamide
CID 83233548
2-(4-bromophenoxy)-4-methylbenzamide
CID 62308096
5-bromo-2-(4-bromo-3-methylphenoxy)benzamide
CID 114892345
4-(2-bromo-4-chlorophenoxy)-2-methylbenzoic acid
CID 63534811
2-bromo-4-(2,4-dimethylphenoxy)benzoic acid
CID 107282422
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
2-(2-bromo-4-methylphenoxy)-4-methylbenzoic acid
CID 63513152
3-bromo-4-(2-bromo-4-methylphenoxy)benzenecarbothioamide
CID 82804196
4-(2-bromo-4-methylphenoxy)-2-methylbenzonitrile
CID 81273096
2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033
3-(2-bromo-4-methylphenoxy)benzoic acid
CID 63941894
2-bromo-4-(2-chloro-4-methylphenoxy)benzenecarbothioamide
CID 107278376

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-2-methylbenzamide?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-2-methylbenzamide (CID 81273209) is 4-(2-bromo-4-methylphenoxy)-2-methylbenzamide.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-2-methylbenzamide?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-2-methylbenzamide is Cc1ccc(Oc2ccc(C(N)=O)c(C)c2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-2-methylbenzamide?
The InChIKey is PNZQJZGZFSBHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-9-3-6-14(13(16)7-9)19-11-4-5-12(15(17)18)10(2)8-11/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 4-(2-bromo-4-methylphenoxy)-2-methylbenzamide?
4-(2-bromo-4-methylphenoxy)-2-methylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-2-methylbenzamide is sourced from PubChem (CID 81273209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).