N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide

C16H17BrN2O2 — CID 81110880

IUPACN-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCCOc2ccccc2N)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-6-7-13(17)12(10-11)16(20)19-8-9-21-15-5-3-2-4-14(15)18/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeySIEOUTLTYSCTEA-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide

N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide (PubChem CID 81110880) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide
PubChem CID81110880
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCCOc2ccccc2N)c1
InChIInChI=1S/C16H17BrN2O2/c1-11-6-7-13(17)12(10-11)16(20)19-8-9-21-15-5-3-2-4-14(15)18/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeySIEOUTLTYSCTEA-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide
CID 61031629
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide
CID 39447567
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500099
N-[(3-amino-2-methylphenyl)methyl]-2-bromo-5-methylbenzamide
CID 103110132
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylbenzamide
CID 103082770
2-bromo-N-(2-cyanoethyl)-5-methylbenzamide
CID 81109980
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583
4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide
CID 84551759

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide (CID 81110880) is N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NCCOc2ccccc2N)c1.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide?
The InChIKey is SIEOUTLTYSCTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-6-7-13(17)12(10-11)16(20)19-8-9-21-15-5-3-2-4-14(15)18/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide?
N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide is sourced from PubChem (CID 81110880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).