4-[(4-bromo-3-methylphenoxy)methyl]benzamide

C15H14BrNO2 — CID 81300987

IUPAC4-[(4-bromo-3-methylphenoxy)methyl]benzamide
SMILESCc1cc(OCc2ccc(C(N)=O)cc2)ccc1Br
InChIInChI=1S/C15H14BrNO2/c1-10-8-13(6-7-14(10)16)19-9-11-2-4-12(5-3-11)15(17)18/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyFKGHRBOOCCUPSU-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.44
Rot. Bonds4

About 4-[(4-bromo-3-methylphenoxy)methyl]benzamide

4-[(4-bromo-3-methylphenoxy)methyl]benzamide (PubChem CID 81300987) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-[(4-bromo-3-methylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-bromo-3-methylphenoxy)methyl]benzamide
PubChem CID81300987
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-[(4-bromo-3-methylphenoxy)methyl]benzamide
SMILESCc1cc(OCc2ccc(C(N)=O)cc2)ccc1Br
InChIInChI=1S/C15H14BrNO2/c1-10-8-13(6-7-14(10)16)19-9-11-2-4-12(5-3-11)15(17)18/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyFKGHRBOOCCUPSU-UHFFFAOYSA-N
XLogP3.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83141030
4-[(4-bromo-3-fluorophenoxy)methyl]benzamide
CID 63999852
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
4-[(4-bromo-3-methylphenyl)methoxy]phenol
CID 69115875
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114482373
4-[[4-(methylamino)phenoxy]methyl]benzamide
CID 54908957
4-[(3,4-dimethylphenoxy)methyl]benzoate
CID 4053070
4-[(4-bromo-3-methylphenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 106789213
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
CID 112694000

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-methylphenoxy)methyl]benzamide?
The IUPAC name of 4-[(4-bromo-3-methylphenoxy)methyl]benzamide (CID 81300987) is 4-[(4-bromo-3-methylphenoxy)methyl]benzamide.
What is the SMILES notation for 4-[(4-bromo-3-methylphenoxy)methyl]benzamide?
The canonical SMILES for 4-[(4-bromo-3-methylphenoxy)methyl]benzamide is Cc1cc(OCc2ccc(C(N)=O)cc2)ccc1Br.
What is the InChIKey of 4-[(4-bromo-3-methylphenoxy)methyl]benzamide?
The InChIKey is FKGHRBOOCCUPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-8-13(6-7-14(10)16)19-9-11-2-4-12(5-3-11)15(17)18/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 4-[(4-bromo-3-methylphenoxy)methyl]benzamide?
4-[(4-bromo-3-methylphenoxy)methyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 81300987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).