N-(4-amino-3-bromophenyl)-3-phenoxypropanamide

C15H15BrN2O2 — CID 82861847

IUPACN-(4-amino-3-bromophenyl)-3-phenoxypropanamide
SMILESNc1ccc(NC(=O)CCOc2ccccc2)cc1Br
InChIInChI=1S/C15H15BrN2O2/c16-13-10-11(6-7-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyADHQXVRRQFXUMS-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.44
Rot. Bonds5

About N-(4-amino-3-bromophenyl)-3-phenoxypropanamide

N-(4-amino-3-bromophenyl)-3-phenoxypropanamide (PubChem CID 82861847) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-3-phenoxypropanamide
PubChem CID82861847
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(4-amino-3-bromophenyl)-3-phenoxypropanamide
SMILESNc1ccc(NC(=O)CCOc2ccccc2)cc1Br
InChIInChI=1S/C15H15BrN2O2/c16-13-10-11(6-7-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyADHQXVRRQFXUMS-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.44
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

N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide
CID 116813639
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
CID 108806972
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
CID 28531859
N-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
N-(4-amino-3-bromophenyl)-2-(3-chlorophenoxy)acetamide
CID 82862294
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
N-(3-formylphenyl)-3-phenoxypropanamide
CID 106912466

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-3-phenoxypropanamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-3-phenoxypropanamide (CID 82861847) is N-(4-amino-3-bromophenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-3-phenoxypropanamide is Nc1ccc(NC(=O)CCOc2ccccc2)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-3-phenoxypropanamide?
The InChIKey is ADHQXVRRQFXUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-10-11(6-7-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9,17H2,(H,18,19).
What are the key properties of N-(4-amino-3-bromophenyl)-3-phenoxypropanamide?
N-(4-amino-3-bromophenyl)-3-phenoxypropanamide has a molecular weight of 335.20 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-3-phenoxypropanamide is sourced from PubChem (CID 82861847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).