3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide

C18H19BrN2O4 — CID 17218947

IUPAC3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C18H19BrN2O4/c1-24-9-8-20-17(22)12-4-3-5-14(10-12)21-18(23)13-6-7-16(25-2)15(19)11-13/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWKVUCDDDSWXVRL-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.09
Rot. Bonds7

About 3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide

3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide (PubChem CID 17218947) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
PubChem CID17218947
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C18H19BrN2O4/c1-24-9-8-20-17(22)12-4-3-5-14(10-12)21-18(23)13-6-7-16(25-2)15(19)11-13/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWKVUCDDDSWXVRL-UHFFFAOYSA-N
XLogP3.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.09
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-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 17222743
3-bromo-4-methoxy-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17223018
3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638662
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052619
3-bromo-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 17219321
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17231899
3-bromo-N-[3-(butylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17197037
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914
5-bromo-N-[3-(2-methoxyethylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17219067
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide (CID 17218947) is 3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide is COCCNC(=O)c1cccc(NC(=O)c2ccc(OC)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide?
The InChIKey is WKVUCDDDSWXVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-24-9-8-20-17(22)12-4-3-5-14(10-12)21-18(23)13-6-7-16(25-2)15(19)11-13/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide?
3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide has a molecular weight of 407.26 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17218947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).