N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide

C16H17BrN2O2 — CID 63213428

IUPACN-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide
SMILESCc1cc(Br)ccc1OCCC(=O)Nc1ccccc1N
InChIInChI=1S/C16H17BrN2O2/c1-11-10-12(17)6-7-15(11)21-9-8-16(20)19-14-5-3-2-4-13(14)18/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyPGWVCXVVXPKZQG-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.75
Rot. Bonds5

About N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide

N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide (PubChem CID 63213428) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide
PubChem CID63213428
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide
SMILESCc1cc(Br)ccc1OCCC(=O)Nc1ccccc1N
InChIInChI=1S/C16H17BrN2O2/c1-11-10-12(17)6-7-15(11)21-9-8-16(20)19-14-5-3-2-4-13(14)18/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyPGWVCXVVXPKZQG-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-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
2-(4-bromo-2-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 1328520
N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide
CID 43364213
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5176598
2-[2-(4-bromo-2-methylphenoxy)ethoxy]aniline
CID 63216601
N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide
CID 63268657
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949446
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17354006
3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
CID 61091327
N-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide (CID 63213428) is N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide is Cc1cc(Br)ccc1OCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide?
The InChIKey is PGWVCXVVXPKZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-10-12(17)6-7-15(11)21-9-8-16(20)19-14-5-3-2-4-13(14)18/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide?
N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide 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-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide is sourced from PubChem (CID 63213428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).