2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide

C23H19Br2N3O4 — CID 46937197

IUPAC2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C23H19Br2N3O4/c24-15-5-9-17(10-6-15)27-21(29)13-26-23(31)19-3-1-2-4-20(19)32-14-22(30)28-18-11-7-16(25)8-12-18/h1-12H,13-14H2,(H,26,31)(H,27,29)(H,28,30)
InChIKeyIXIVGAWFNFMSRT-UHFFFAOYSA-N
MW561.23 g/mol
LogP4.60
Rot. Bonds8

About 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide (PubChem CID 46937197) has the molecular formula C23H19Br2N3O4 and a molecular weight of 561.23 g/mol. Its IUPAC name is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
PubChem CID46937197
Molecular FormulaC23H19Br2N3O4
Molecular Weight561.23 g/mol
Exact Mass558.97
IUPAC Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C23H19Br2N3O4/c24-15-5-9-17(10-6-15)27-21(29)13-26-23(31)19-3-1-2-4-20(19)32-14-22(30)28-18-11-7-16(25)8-12-18/h1-12H,13-14H2,(H,26,31)(H,27,29)(H,28,30)
InChIKeyIXIVGAWFNFMSRT-UHFFFAOYSA-N
XLogP4.60
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.23
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide
CID 46937202
N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
CID 46663703
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
2-[2-(hydrazinecarbonyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 54793411
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
[2-(benzylamino)-2-oxoethyl] 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate
CID 42965792
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide (CID 46937197) is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide?
The InChIKey is IXIVGAWFNFMSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Br2N3O4/c24-15-5-9-17(10-6-15)27-21(29)13-26-23(31)19-3-1-2-4-20(19)32-14-22(30)28-18-11-7-16(25)8-12-18/h1-12H,13-14H2,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide?
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide has a molecular weight of 561.23 g/mol, XLogP of 4.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 46937197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).