3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide

C16H17BrN2O2 — CID 61401540

IUPAC3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide
SMILESNc1cccc(OCCC(=O)NCc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O2/c17-15-7-2-1-4-12(15)11-19-16(20)8-9-21-14-6-3-5-13(18)10-14/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyDCOGTRHGPDOCJQ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.12
Rot. Bonds6

About 3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide

3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide (PubChem CID 61401540) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide
PubChem CID61401540
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide
SMILESNc1cccc(OCCC(=O)NCc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O2/c17-15-7-2-1-4-12(15)11-19-16(20)8-9-21-14-6-3-5-13(18)10-14/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyDCOGTRHGPDOCJQ-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
CID 61091366
N-[(3-aminophenyl)methyl]-3-phenoxypropanamide
CID 62499937
3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 115988957
3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26776021
3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62322289
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
2-(4-aminophenoxy)-N-[(2-bromophenyl)methyl]acetamide
CID 61401671
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
3-[3-[(2-bromophenyl)methoxy]propoxy]aniline
CID 82827981
2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
CID 106591203

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide (CID 61401540) is 3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide is Nc1cccc(OCCC(=O)NCc2ccccc2Br)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide?
The InChIKey is DCOGTRHGPDOCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-15-7-2-1-4-12(15)11-19-16(20)8-9-21-14-6-3-5-13(18)10-14/h1-7,10H,8-9,11,18H2,(H,19,20).
What are the key properties of 3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide?
3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide has a molecular weight of 349.23 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide is sourced from PubChem (CID 61401540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).