3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide

C16H17BrN2O2 — CID 107273353

IUPAC3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide
SMILESCOc1cc(Br)cc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C16H17BrN2O2/c1-21-14-9-12(17)8-13(10-14)19-16(20)7-6-11-4-2-3-5-15(11)18/h2-5,8-10H,6-7,18H2,1H3,(H,19,20)
InChIKeyZHIGZSMQFQCOPG-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.61
Rot. Bonds5

About 3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide

3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide (PubChem CID 107273353) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide
PubChem CID107273353
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide
SMILESCOc1cc(Br)cc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C16H17BrN2O2/c1-21-14-9-12(17)8-13(10-14)19-16(20)7-6-11-4-2-3-5-15(11)18/h2-5,8-10H,6-7,18H2,1H3,(H,19,20)
InChIKeyZHIGZSMQFQCOPG-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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

3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 54795447
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
methyl 3-[4-[3-(2-aminophenyl)propanoylamino]phenoxy]propanoate
CID 120610132
3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
CID 120611913
3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide
CID 54795478
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-(2-aminophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 120608072
3-(2-aminophenyl)-N-[3-(2-methylsulfonylethoxy)phenyl]propanamide;hydrochloride
CID 120610173
3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
CID 120608796

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide (CID 107273353) is 3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide is COc1cc(Br)cc(NC(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide?
The InChIKey is ZHIGZSMQFQCOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-14-9-12(17)8-13(10-14)19-16(20)7-6-11-4-2-3-5-15(11)18/h2-5,8-10H,6-7,18H2,1H3,(H,19,20).
What are the key properties of 3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide?
3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide has a molecular weight of 349.23 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide is sourced from PubChem (CID 107273353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).