N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide

C22H16BrClN2O3 — CID 1104902

IUPACN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H16BrClN2O3/c23-16-8-11-19(18(12-16)21(28)14-4-2-1-3-5-14)26-20(27)13-25-22(29)15-6-9-17(24)10-7-15/h1-12H,13H2,(H,25,29)(H,26,27)
InChIKeyHPMDQAVCKDVNIZ-UHFFFAOYSA-N
MW471.74 g/mol
LogP4.70
Rot. Bonds6

About N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide

N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide (PubChem CID 1104902) has the molecular formula C22H16BrClN2O3 and a molecular weight of 471.74 g/mol. Its IUPAC name is N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide
PubChem CID1104902
Molecular FormulaC22H16BrClN2O3
Molecular Weight471.74 g/mol
Exact Mass470.00
IUPAC NameN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H16BrClN2O3/c23-16-8-11-19(18(12-16)21(28)14-4-2-1-3-5-14)26-20(27)13-25-22(29)15-6-9-17(24)10-7-15/h1-12H,13H2,(H,25,29)(H,26,27)
InChIKeyHPMDQAVCKDVNIZ-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.74
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
N-(2-benzoyl-4-bromophenyl)-2-methoxyacetamide
CID 166884610
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 55533610
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]propanoate
CID 4260264
4-[[2-(2-benzoyl-4-bromoanilino)acetyl]amino]benzoic acid
CID 4500113
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide
CID 41099780
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide (CID 1104902) is N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide is O=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide?
The InChIKey is HPMDQAVCKDVNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrClN2O3/c23-16-8-11-19(18(12-16)21(28)14-4-2-1-3-5-14)26-20(27)13-25-22(29)15-6-9-17(24)10-7-15/h1-12H,13H2,(H,25,29)(H,26,27).
What are the key properties of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide?
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide has a molecular weight of 471.74 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide is sourced from PubChem (CID 1104902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).