2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide

C17H18BrNO2 — CID 132791420

IUPAC2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO2/c1-3-13-4-8-15(9-5-13)19-17(20)12(2)21-16-10-6-14(18)7-11-16/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyIRRUNOXDWSREPO-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.42
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide

2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide (PubChem CID 132791420) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
PubChem CID132791420
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO2/c1-3-13-4-8-15(9-5-13)19-17(20)12(2)21-16-10-6-14(18)7-11-16/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyIRRUNOXDWSREPO-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide
CID 23409645
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 9237321
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide (CID 132791420) is 2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)C(C)Oc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide?
The InChIKey is IRRUNOXDWSREPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-3-13-4-8-15(9-5-13)19-17(20)12(2)21-16-10-6-14(18)7-11-16/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide?
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide has a molecular weight of 348.24 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 132791420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).