N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide

C16H17BrN2O2 — CID 100828508

IUPACN-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2c(Br)cc(N)cc2OC)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-10-4-6-11(7-5-10)16(20)19-15-13(17)8-12(18)9-14(15)21-2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyZKYUKPFOVQPMSS-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.85
Rot. Bonds4

About N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide

N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide (PubChem CID 100828508) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide
PubChem CID100828508
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2c(Br)cc(N)cc2OC)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-10-4-6-11(7-5-10)16(20)19-15-13(17)8-12(18)9-14(15)21-2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyZKYUKPFOVQPMSS-UHFFFAOYSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.85
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-bromo-6-methoxyphenyl)-4-methoxybenzamide
CID 100828622
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide
CID 100828551
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
CID 100828602
N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide
CID 100828478
N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide
CID 100828565
N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide
CID 100828589
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
CID 43549420
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
CID 3960539

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide?
The IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide (CID 100828508) is N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2c(Br)cc(N)cc2OC)cc1.
What is the InChIKey of N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide?
The InChIKey is ZKYUKPFOVQPMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-10-4-6-11(7-5-10)16(20)19-15-13(17)8-12(18)9-14(15)21-2/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide?
N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide is sourced from PubChem (CID 100828508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).