3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide

C19H15BrN2O3 — CID 26160442

IUPAC3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C19H15BrN2O3/c20-18-15-7-2-1-4-12(15)8-9-16(18)25-11-17(23)22-14-6-3-5-13(10-14)19(21)24/h1-10H,11H2,(H2,21,24)(H,22,23)
InChIKeyZOSOZFCOKSBQNF-UHFFFAOYSA-N
MW399.24 g/mol
LogP3.72
Rot. Bonds5

About 3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide

3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide (PubChem CID 26160442) has the molecular formula C19H15BrN2O3 and a molecular weight of 399.24 g/mol. Its IUPAC name is 3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide
PubChem CID26160442
Molecular FormulaC19H15BrN2O3
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC Name3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C19H15BrN2O3/c20-18-15-7-2-1-4-12(15)8-9-16(18)25-11-17(23)22-14-6-3-5-13(10-14)19(21)24/h1-10H,11H2,(H2,21,24)(H,22,23)
InChIKeyZOSOZFCOKSBQNF-UHFFFAOYSA-N
XLogP3.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164
2-(1-bromonaphthalen-2-yl)oxy-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154684
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637403
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169791
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
CID 24605889
2-(1-bromonaphthalen-2-yl)oxy-N-(4-sulfamoylphenyl)acetamide
CID 1186575
3-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 51152953
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
2-(1-bromonaphthalen-2-yl)oxy-N-(1H-indazol-5-yl)acetamide
CID 55599649
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide?
The IUPAC name of 3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide (CID 26160442) is 3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1.
What is the InChIKey of 3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide?
The InChIKey is ZOSOZFCOKSBQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3/c20-18-15-7-2-1-4-12(15)8-9-16(18)25-11-17(23)22-14-6-3-5-13(10-14)19(21)24/h1-10H,11H2,(H2,21,24)(H,22,23).
What are the key properties of 3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide?
3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide has a molecular weight of 399.24 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide is sourced from PubChem (CID 26160442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).