N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide

C14H18BrNO3 — CID 58574560

IUPACN-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide
SMILESCCC(=O)c1ccc(Br)cc1NC(=O)C(C)(C)OC
InChIInChI=1S/C14H18BrNO3/c1-5-12(17)10-7-6-9(15)8-11(10)16-13(18)14(2,3)19-4/h6-8H,5H2,1-4H3,(H,16,18)
InChIKeyMJCAXWMVSUVTPH-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.41
Rot. Bonds5

About N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide

N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide (PubChem CID 58574560) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide
PubChem CID58574560
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC NameN-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide
SMILESCCC(=O)c1ccc(Br)cc1NC(=O)C(C)(C)OC
InChIInChI=1S/C14H18BrNO3/c1-5-12(17)10-7-6-9(15)8-11(10)16-13(18)14(2,3)19-4/h6-8H,5H2,1-4H3,(H,16,18)
InChIKeyMJCAXWMVSUVTPH-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-carbamothioylphenyl)-2-methoxy-2-methylpropanamide
CID 107798759
N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
CID 103020238
N-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropanamide
CID 143251250
4-bromo-2-(2,2-dimethylbut-3-enoylamino)benzoic acid
CID 162649140
2-methoxy-2-methyl-N-(2,4,6-tribromophenyl)propanamide
CID 103028807
2-cyano-N-(2,5-dibromophenyl)-2-methylbutanamide
CID 114291248
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105
N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide
CID 103020703
4-bromo-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoic acid
CID 60916642
1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one
CID 118852695
N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
CID 104938678
N-(5-bromo-2-iodophenyl)propanamide
CID 47076747

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide (CID 58574560) is N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide is CCC(=O)c1ccc(Br)cc1NC(=O)C(C)(C)OC.
What is the InChIKey of N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is MJCAXWMVSUVTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-5-12(17)10-7-6-9(15)8-11(10)16-13(18)14(2,3)19-4/h6-8H,5H2,1-4H3,(H,16,18).
What are the key properties of N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide?
N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 328.21 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-propanoylphenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 58574560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).