3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide

C14H19BrN2O4 — CID 108539697

IUPAC3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
SMILESCOCCOCC(=O)NCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O4/c1-20-7-8-21-10-13(18)16-5-6-17-14(19)11-3-2-4-12(15)9-11/h2-4,9H,5-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyIAGWYHJIDLWKNI-UHFFFAOYSA-N
MW359.22 g/mol
LogP0.96
Rot. Bonds9

About 3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide

3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide (PubChem CID 108539697) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is 3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
PubChem CID108539697
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC Name3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
SMILESCOCCOCC(=O)NCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O4/c1-20-7-8-21-10-13(18)16-5-6-17-14(19)11-3-2-4-12(15)9-11/h2-4,9H,5-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyIAGWYHJIDLWKNI-UHFFFAOYSA-N
XLogP0.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(4-oxopentanoylamino)ethyl]benzamide
CID 108539699
3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 113434323
3-bromo-N-[2-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 110975352
3-bromo-N-[3-[[ethylamino-[3-(2-methoxyethoxy)propylamino]methylidene]amino]propyl]benzamide
CID 111406385
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542972
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
3-bromo-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]benzamide
CID 108539659
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844
3-bromo-N-[2-[[N-[2-(2-butoxyethoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111692915
N-[2-[4-(3-acetylphenoxy)butanoylamino]ethyl]-3-bromobenzamide
CID 60615622

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide (CID 108539697) is 3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide is COCCOCC(=O)NCCNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is IAGWYHJIDLWKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c1-20-7-8-21-10-13(18)16-5-6-17-14(19)11-3-2-4-12(15)9-11/h2-4,9H,5-8,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide?
3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 359.22 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 108539697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).