N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide

C23H19BrN2O4 — CID 156754394

IUPACN-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide
SMILESO=C(COC(NC(=O)c1ccccc1)C(=O)c1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C23H19BrN2O4/c24-18-12-7-13-19(14-18)25-20(27)15-30-23(21(28)16-8-3-1-4-9-16)26-22(29)17-10-5-2-6-11-17/h1-14,23H,15H2,(H,25,27)(H,26,29)
InChIKeyXTXUGVTYLXPCHR-UHFFFAOYSA-N
MW467.32 g/mol
LogP4.04
Rot. Bonds8

About N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide

N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide (PubChem CID 156754394) has the molecular formula C23H19BrN2O4 and a molecular weight of 467.32 g/mol. Its IUPAC name is N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide
PubChem CID156754394
Molecular FormulaC23H19BrN2O4
Molecular Weight467.32 g/mol
Exact Mass466.05
IUPAC NameN-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide
SMILESO=C(COC(NC(=O)c1ccccc1)C(=O)c1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C23H19BrN2O4/c24-18-12-7-13-19(14-18)25-20(27)15-30-23(21(28)16-8-3-1-4-9-16)26-22(29)17-10-5-2-6-11-17/h1-14,23H,15H2,(H,25,27)(H,26,29)
InChIKeyXTXUGVTYLXPCHR-UHFFFAOYSA-N
XLogP4.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide?
The IUPAC name of N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide (CID 156754394) is N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide.
What is the SMILES notation for N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide?
The canonical SMILES for N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide is O=C(COC(NC(=O)c1ccccc1)C(=O)c1ccccc1)Nc1cccc(Br)c1.
What is the InChIKey of N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide?
The InChIKey is XTXUGVTYLXPCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O4/c24-18-12-7-13-19(14-18)25-20(27)15-30-23(21(28)16-8-3-1-4-9-16)26-22(29)17-10-5-2-6-11-17/h1-14,23H,15H2,(H,25,27)(H,26,29).
What are the key properties of N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide?
N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide has a molecular weight of 467.32 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-bromoanilino)-2-oxoethoxy]-2-oxo-2-phenylethyl]benzamide is sourced from PubChem (CID 156754394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).