2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide

C29H25BrN2O2 — CID 4500308

IUPAC2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide
SMILESO=C(c1ccccc1)c1cc(Br)ccc1NCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H25BrN2O2/c30-25-16-17-27(26(18-25)29(34)24-14-8-3-9-15-24)31-19-28(33)32(20-22-10-4-1-5-11-22)21-23-12-6-2-7-13-23/h1-18,31H,19-21H2
InChIKeyBRVAIKMWFRAQGR-UHFFFAOYSA-N
MW513.44 g/mol
LogP6.32
Rot. Bonds9

About 2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide

2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide (PubChem CID 4500308) has the molecular formula C29H25BrN2O2 and a molecular weight of 513.44 g/mol. Its IUPAC name is 2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide.

Molecular Properties

Compound Name2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide
PubChem CID4500308
Molecular FormulaC29H25BrN2O2
Molecular Weight513.44 g/mol
Exact Mass512.11
IUPAC Name2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide
SMILESO=C(c1ccccc1)c1cc(Br)ccc1NCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H25BrN2O2/c30-25-16-17-27(26(18-25)29(34)24-14-8-3-9-15-24)31-19-28(33)32(20-22-10-4-1-5-11-22)21-23-12-6-2-7-13-23/h1-18,31H,19-21H2
InChIKeyBRVAIKMWFRAQGR-UHFFFAOYSA-N
XLogP6.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.44
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-benzoyl-4-bromoanilino)acetyl]amino]benzoic acid
CID 4500113
[5-bromo-2-[3-(dimethylamino)propylamino]phenyl]-phenylmethanone
CID 154392827
butan-2-yl 2-(2-benzoyl-4-bromoanilino)acetate
CID 4500312
2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide
CID 4500110
(2-benzoyl-4-bromophenyl)thiourea
CID 169360025
2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone
CID 110825563
N-(2-benzoyl-4-bromophenyl)-2-methoxyacetamide
CID 166884610
N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
CID 114375585
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide
CID 1104902
2-(2-benzoyl-4-chloroanilino)acetate
CID 4162627
N-(2-benzoyl-4-bromophenyl)naphthalene-2-carboxamide
CID 23941186
N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 65309508

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide?
The IUPAC name of 2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide (CID 4500308) is 2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide.
What is the SMILES notation for 2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide?
The canonical SMILES for 2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide is O=C(c1ccccc1)c1cc(Br)ccc1NCC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide?
The InChIKey is BRVAIKMWFRAQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25BrN2O2/c30-25-16-17-27(26(18-25)29(34)24-14-8-3-9-15-24)31-19-28(33)32(20-22-10-4-1-5-11-22)21-23-12-6-2-7-13-23/h1-18,31H,19-21H2.
What are the key properties of 2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide?
2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide has a molecular weight of 513.44 g/mol, XLogP of 6.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide is sourced from PubChem (CID 4500308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).