N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide

C16H16BrNO3 — CID 62416404

IUPACN-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
SMILESCOc1ccc(Br)c(NC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C16H16BrNO3/c1-20-13-7-8-14(17)15(11-13)18-16(19)9-10-21-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyXNCMVFKZNOJSRF-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.87
Rot. Bonds6

About N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide

N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide (PubChem CID 62416404) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
PubChem CID62416404
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
SMILESCOc1ccc(Br)c(NC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C16H16BrNO3/c1-20-13-7-8-14(17)15(11-13)18-16(19)9-10-21-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyXNCMVFKZNOJSRF-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-(2-bromo-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 82712318
N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide
CID 28938605
N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031154
3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide
CID 61090388
N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503450
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987443
N-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750
N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide
CID 4856932
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide (CID 62416404) is N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide is COc1ccc(Br)c(NC(=O)CCOc2ccccc2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide?
The InChIKey is XNCMVFKZNOJSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-20-13-7-8-14(17)15(11-13)18-16(19)9-10-21-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide?
N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide has a molecular weight of 350.21 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide is sourced from PubChem (CID 62416404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).