N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide

C17H16BrNO2 — CID 1407053

IUPACN-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H16BrNO2/c1-2-6-13-7-3-4-10-16(13)21-12-17(20)19-15-9-5-8-14(18)11-15/h2-5,7-11H,1,6,12H2,(H,19,20)
InChIKeyGMLUSOSTWXXULR-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.20
Rot. Bonds6

About N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide

N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide (PubChem CID 1407053) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide
PubChem CID1407053
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H16BrNO2/c1-2-6-13-7-3-4-10-16(13)21-12-17(20)19-15-9-5-8-14(18)11-15/h2-5,7-11H,1,6,12H2,(H,19,20)
InChIKeyGMLUSOSTWXXULR-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407018
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
CID 7707136
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 7707153
N-(4-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407019
N-(4-methyl-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237258
N-(4-chloro-3-nitrophenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 19237257
N-[4-(difluoromethoxy)phenyl]-2-(2-prop-2-enylphenoxy)acetamide
CID 7707159
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-(2-methoxyethyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 2072678

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide (CID 1407053) is N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide is C=CCc1ccccc1OCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
The InChIKey is GMLUSOSTWXXULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-2-6-13-7-3-4-10-16(13)21-12-17(20)19-15-9-5-8-14(18)11-15/h2-5,7-11H,1,6,12H2,(H,19,20).
What are the key properties of N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide?
N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide has a molecular weight of 346.22 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 1407053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).