3-[(2-bromoacetyl)amino]-4-methoxybenzamide

C10H11BrN2O3 — CID 63681026

IUPAC3-[(2-bromoacetyl)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)CBr
InChIInChI=1S/C10H11BrN2O3/c1-16-8-3-2-6(10(12)15)4-7(8)13-9(14)5-11/h2-4H,5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyWKCXZMPYHUWWDV-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.13
Rot. Bonds4

About 3-[(2-bromoacetyl)amino]-4-methoxybenzamide

3-[(2-bromoacetyl)amino]-4-methoxybenzamide (PubChem CID 63681026) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 3-[(2-bromoacetyl)amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(2-bromoacetyl)amino]-4-methoxybenzamide
PubChem CID63681026
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name3-[(2-bromoacetyl)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)CBr
InChIInChI=1S/C10H11BrN2O3/c1-16-8-3-2-6(10(12)15)4-7(8)13-9(14)5-11/h2-4H,5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyWKCXZMPYHUWWDV-UHFFFAOYSA-N
XLogP1.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 51090288
4-methoxy-3-(4-phenylbutanoylamino)benzamide
CID 166190408
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
2-bromo-N-(5-formyl-2-methoxyphenyl)acetamide
CID 169448896
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
4-methoxy-3-[(2-piperidin-3-ylacetyl)amino]benzamide
CID 62674715

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromoacetyl)amino]-4-methoxybenzamide?
The IUPAC name of 3-[(2-bromoacetyl)amino]-4-methoxybenzamide (CID 63681026) is 3-[(2-bromoacetyl)amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(2-bromoacetyl)amino]-4-methoxybenzamide?
The canonical SMILES for 3-[(2-bromoacetyl)amino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC(=O)CBr.
What is the InChIKey of 3-[(2-bromoacetyl)amino]-4-methoxybenzamide?
The InChIKey is WKCXZMPYHUWWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-16-8-3-2-6(10(12)15)4-7(8)13-9(14)5-11/h2-4H,5H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-[(2-bromoacetyl)amino]-4-methoxybenzamide?
3-[(2-bromoacetyl)amino]-4-methoxybenzamide has a molecular weight of 287.11 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromoacetyl)amino]-4-methoxybenzamide is sourced from PubChem (CID 63681026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).