N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide

C11H13BrFNO2 — CID 143251250

IUPACN-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide
SMILESCOc1ccc(Br)cc1NC(=O)C(C)(C)F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,13)10(15)14-8-6-7(12)4-5-9(8)16-3/h4-6H,1-3H3,(H,14,15)
InChIKeyKGSKSLHLTYYUGY-UHFFFAOYSA-N
MW290.13 g/mol
LogP3.14
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide

N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide (PubChem CID 143251250) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide
PubChem CID143251250
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC NameN-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide
SMILESCOc1ccc(Br)cc1NC(=O)C(C)(C)F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,13)10(15)14-8-6-7(12)4-5-9(8)16-3/h4-6H,1-3H3,(H,14,15)
InChIKeyKGSKSLHLTYYUGY-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
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N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
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2-(4-bromophenyl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]-2-methylpropanamide
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(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide (CID 143251250) is N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide is COc1ccc(Br)cc1NC(=O)C(C)(C)F.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide?
The InChIKey is KGSKSLHLTYYUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-11(2,13)10(15)14-8-6-7(12)4-5-9(8)16-3/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide?
N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide has a molecular weight of 290.13 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 143251250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).