3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide

C16H17BrN2O2 — CID 61091366

IUPAC3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
SMILESNc1cccc(OCCC(=O)NCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2/c17-13-6-4-12(5-7-13)11-19-16(20)8-9-21-15-3-1-2-14(18)10-15/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyWOOOSCVGZGZXCF-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.12
Rot. Bonds6

About 3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide

3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide (PubChem CID 61091366) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
PubChem CID61091366
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
SMILESNc1cccc(OCCC(=O)NCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2/c17-13-6-4-12(5-7-13)11-19-16(20)8-9-21-15-3-1-2-14(18)10-15/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyWOOOSCVGZGZXCF-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-[(2-bromophenyl)methyl]propanamide
CID 61401540
N-[(3-aminophenyl)methyl]-3-phenoxypropanamide
CID 62499937
3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 55588021
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
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51155626
3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide
CID 119042263
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(3-bromophenoxy)propanoate
CID 7880265
3-(3-aminophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 115988957

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide (CID 61091366) is 3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide is Nc1cccc(OCCC(=O)NCc2ccc(Br)cc2)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide?
The InChIKey is WOOOSCVGZGZXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-13-6-4-12(5-7-13)11-19-16(20)8-9-21-15-3-1-2-14(18)10-15/h1-7,10H,8-9,11,18H2,(H,19,20).
What are the key properties of 3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide?
3-(3-aminophenoxy)-N-[(4-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-[(4-bromophenyl)methyl]propanamide is sourced from PubChem (CID 61091366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).