3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide

C11H15BrN2O2 — CID 119300663

IUPAC3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide
SMILESCCOc1ccc(Br)cc1NC(=O)CCN
InChIInChI=1S/C11H15BrN2O2/c1-2-16-10-4-3-8(12)7-9(10)14-11(15)5-6-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyBXJWVTSUGKYWDR-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.14
Rot. Bonds5

About 3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide

3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide (PubChem CID 119300663) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide
PubChem CID119300663
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide
SMILESCCOc1ccc(Br)cc1NC(=O)CCN
InChIInChI=1S/C11H15BrN2O2/c1-2-16-10-4-3-8(12)7-9(10)14-11(15)5-6-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyBXJWVTSUGKYWDR-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
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4-[(5-bromo-2-ethoxyphenyl)carbamoylamino]butanoic acid
CID 122079209
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
2-(4-bromophenoxy)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 60536138
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
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N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide?
The IUPAC name of 3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide (CID 119300663) is 3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide is CCOc1ccc(Br)cc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide?
The InChIKey is BXJWVTSUGKYWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-16-10-4-3-8(12)7-9(10)14-11(15)5-6-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide?
3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide has a molecular weight of 287.16 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide is sourced from PubChem (CID 119300663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).