N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide

C16H17BrN2O2 — CID 116813639

IUPACN-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide
SMILESCc1cc(N)c(NC(=O)CCOc2ccccc2)c(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-13(17)16(14(18)10-11)19-15(20)7-8-21-12-5-3-2-4-6-12/h2-6,9-10H,7-8,18H2,1H3,(H,19,20)
InChIKeyGKLBYOJKBBZEHQ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.75
Rot. Bonds5

About N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide

N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide (PubChem CID 116813639) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide
PubChem CID116813639
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide
SMILESCc1cc(N)c(NC(=O)CCOc2ccccc2)c(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-13(17)16(14(18)10-11)19-15(20)7-8-21-12-5-3-2-4-6-12/h2-6,9-10H,7-8,18H2,1H3,(H,19,20)
InChIKeyGKLBYOJKBBZEHQ-UHFFFAOYSA-N
XLogP3.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.75
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-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750
N-(4-amino-3-bromophenyl)-3-phenoxypropanamide
CID 82861847
N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
CID 62098253
N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503450
3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
3-bromo-5-methyl-2-(2-phenoxyethoxy)aniline
CID 54853009
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide
CID 116813465
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
CID 62416404
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide (CID 116813639) is N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide is Cc1cc(N)c(NC(=O)CCOc2ccccc2)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide?
The InChIKey is GKLBYOJKBBZEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-9-13(17)16(14(18)10-11)19-15(20)7-8-21-12-5-3-2-4-6-12/h2-6,9-10H,7-8,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide?
N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide has a molecular weight of 349.23 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide is sourced from PubChem (CID 116813639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).