2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide

C16H16BrNO2 — CID 107723488

IUPAC2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide
SMILESCc1cc(OCc2ccccc2C(N)=O)cc(C)c1Br
InChIInChI=1S/C16H16BrNO2/c1-10-7-13(8-11(2)15(10)17)20-9-12-5-3-4-6-14(12)16(18)19/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyXBWPXRNOVAPGIX-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.74
Rot. Bonds4

About 2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide

2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide (PubChem CID 107723488) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide
PubChem CID107723488
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide
SMILESCc1cc(OCc2ccccc2C(N)=O)cc(C)c1Br
InChIInChI=1S/C16H16BrNO2/c1-10-7-13(8-11(2)15(10)17)20-9-12-5-3-4-6-14(12)16(18)19/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyXBWPXRNOVAPGIX-UHFFFAOYSA-N
XLogP3.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid
CID 22687325
2-[2-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 107722369
2-[(3-amino-5-bromophenoxy)methyl]benzamide
CID 103588227
2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene
CID 107723747
2-bromo-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 107723647
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide
CID 107723748
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
3-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 107724715
methyl 2-amino-5-[(2-bromophenyl)methoxy]-3-methylbenzoate
CID 82803746
2-imino-1-[2-[(3,4,5-trimethylphenoxy)methyl]phenyl]ethanone
CID 123634687
5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
CID 43379987

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide?
The IUPAC name of 2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide (CID 107723488) is 2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide.
What is the SMILES notation for 2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide?
The canonical SMILES for 2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide is Cc1cc(OCc2ccccc2C(N)=O)cc(C)c1Br.
What is the InChIKey of 2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide?
The InChIKey is XBWPXRNOVAPGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-7-13(8-11(2)15(10)17)20-9-12-5-3-4-6-14(12)16(18)19/h3-8H,9H2,1-2H3,(H2,18,19).
What are the key properties of 2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide?
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide is sourced from PubChem (CID 107723488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).