N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide

C12H15BrFNO2 — CID 103274613

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)COC(C)C
InChIInChI=1S/C12H15BrFNO2/c1-7(2)17-6-12(16)15-11-5-9(13)10(14)4-8(11)3/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyBMYLOPLNHSBWFQ-UHFFFAOYSA-N
MW304.16 g/mol
LogP3.26
Rot. Bonds4

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide

N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide (PubChem CID 103274613) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide
PubChem CID103274613
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)COC(C)C
InChIInChI=1S/C12H15BrFNO2/c1-7(2)17-6-12(16)15-11-5-9(13)10(14)4-8(11)3/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyBMYLOPLNHSBWFQ-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide (CID 103274613) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide is Cc1cc(F)c(Br)cc1NC(=O)COC(C)C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide?
The InChIKey is BMYLOPLNHSBWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-7(2)17-6-12(16)15-11-5-9(13)10(14)4-8(11)3/h4-5,7H,6H2,1-3H3,(H,15,16).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide has a molecular weight of 304.16 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 103274613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).