3-amino-4-bromo-N-ethoxybenzamide

C9H11BrN2O2 — CID 107813148

IUPAC3-amino-4-bromo-N-ethoxybenzamide
SMILESCCONC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C9H11BrN2O2/c1-2-14-12-9(13)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3,(H,12,13)
InChIKeyWQPOSIXGQIDZGR-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-4-bromo-N-ethoxybenzamide

3-amino-4-bromo-N-ethoxybenzamide (PubChem CID 107813148) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-amino-4-bromo-N-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-ethoxybenzamide
PubChem CID107813148
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name3-amino-4-bromo-N-ethoxybenzamide
SMILESCCONC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C9H11BrN2O2/c1-2-14-12-9(13)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3,(H,12,13)
InChIKeyWQPOSIXGQIDZGR-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-ethoxy-3-methylbenzamide
CID 115769561
4-amino-N-ethoxybenzamide
CID 62058413
3-amino-4-bromo-N-methylsulfonylbenzamide
CID 107813359
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
2-[(3-amino-4-bromobenzoyl)amino]-2-ethylbutanoic acid
CID 107813199
3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 115597576
3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
3-amino-4-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61092685
1-(3-amino-4-bromophenyl)butan-1-one
CID 130156193
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222
N-ethoxy-2H-benzotriazole-5-carboxamide
CID 47143794

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-ethoxybenzamide?
The IUPAC name of 3-amino-4-bromo-N-ethoxybenzamide (CID 107813148) is 3-amino-4-bromo-N-ethoxybenzamide.
What is the SMILES notation for 3-amino-4-bromo-N-ethoxybenzamide?
The canonical SMILES for 3-amino-4-bromo-N-ethoxybenzamide is CCONC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-ethoxybenzamide?
The InChIKey is WQPOSIXGQIDZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-2-14-12-9(13)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-4-bromo-N-ethoxybenzamide?
3-amino-4-bromo-N-ethoxybenzamide has a molecular weight of 259.10 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-ethoxybenzamide is sourced from PubChem (CID 107813148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).