2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide

C16H16BrNO3 — CID 2793539

IUPAC2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-11(21-15-5-3-4-12(17)10-15)16(19)18-13-6-8-14(20-2)9-7-13/h3-11H,1-2H3,(H,18,19)
InChIKeyLUEHBFKSJASUEK-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.86
Rot. Bonds5

About 2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide

2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide (PubChem CID 2793539) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
PubChem CID2793539
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-11(21-15-5-3-4-12(17)10-15)16(19)18-13-6-8-14(20-2)9-7-13/h3-11H,1-2H3,(H,18,19)
InChIKeyLUEHBFKSJASUEK-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7818352
(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1177364
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 7709562
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
N-(4-chlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203909
4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
CID 43905180
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide (CID 2793539) is 2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Oc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide?
The InChIKey is LUEHBFKSJASUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-11(21-15-5-3-4-12(17)10-15)16(19)18-13-6-8-14(20-2)9-7-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of 2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide?
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide has a molecular weight of 350.21 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 2793539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).