2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone

C21H16BrNO2 — CID 110825563

IUPAC2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone
SMILESO=C(CNc1ccccc1C(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H16BrNO2/c22-17-12-10-15(11-13-17)20(24)14-23-19-9-5-4-8-18(19)21(25)16-6-2-1-3-7-16/h1-13,23H,14H2
InChIKeyPOFUAPTWNLNXJF-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.97
Rot. Bonds6

About 2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone

2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone (PubChem CID 110825563) has the molecular formula C21H16BrNO2 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone
PubChem CID110825563
Molecular FormulaC21H16BrNO2
Molecular Weight394.27 g/mol
Exact Mass393.04
IUPAC Name2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone
SMILESO=C(CNc1ccccc1C(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H16BrNO2/c22-17-12-10-15(11-13-17)20(24)14-23-19-9-5-4-8-18(19)21(25)16-6-2-1-3-7-16/h1-13,23H,14H2
InChIKeyPOFUAPTWNLNXJF-UHFFFAOYSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.97
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

2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone
CID 110825945
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone
CID 110823624
4-[[2-(2-benzoyl-4-bromoanilino)acetyl]amino]benzoic acid
CID 4500113
ethyl (E)-3-[2-[[2-(4-bromophenyl)-2-oxoethyl]amino]phenyl]prop-2-enoate
CID 174881127
(2-benzylphenyl)-(4-bromophenyl)methanone
CID 141365768
2-(2-benzoyl-4-bromoanilino)-N,N-dibenzylacetamide
CID 4500308
[2-(but-2-enylamino)phenyl]-phenylmethanone
CID 163414634
phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone
CID 119051507
1-(4-bromophenyl)-4-phenylbutane-1,2,4-trione
CID 162856895
4-(4-bromophenyl)-1-phenylbutane-1,2,4-trione
CID 162997615
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone (CID 110825563) is 2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone is O=C(CNc1ccccc1C(=O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone?
The InChIKey is POFUAPTWNLNXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO2/c22-17-12-10-15(11-13-17)20(24)14-23-19-9-5-4-8-18(19)21(25)16-6-2-1-3-7-16/h1-13,23H,14H2.
What are the key properties of 2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone?
2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone has a molecular weight of 394.27 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone is sourced from PubChem (CID 110825563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).