2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid

C28H21NO5 — CID 89038090

IUPAC2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid
SMILESCC(=O)Oc1ccc(-c2ccccc2)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C28H21NO5/c1-18(30)34-26-15-13-21(19-8-4-2-5-9-19)16-24(26)27(31)29-25-17-22(12-14-23(25)28(32)33)20-10-6-3-7-11-20/h2-17H,1H3,(H,29,31)(H,32,33)
InChIKeyLHXSAHFSACNYPF-UHFFFAOYSA-N
MW451.48 g/mol
LogP5.90
Rot. Bonds6

About 2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid

2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid (PubChem CID 89038090) has the molecular formula C28H21NO5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid
PubChem CID89038090
Molecular FormulaC28H21NO5
Molecular Weight451.48 g/mol
Exact Mass451.14
IUPAC Name2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid
SMILESCC(=O)Oc1ccc(-c2ccccc2)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C28H21NO5/c1-18(30)34-26-15-13-21(19-8-4-2-5-9-19)16-24(26)27(31)29-25-17-22(12-14-23(25)28(32)33)20-10-6-3-7-11-20/h2-17H,1H3,(H,29,31)(H,32,33)
InChIKeyLHXSAHFSACNYPF-UHFFFAOYSA-N
XLogP5.90
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.48
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-[(3-acetyloxybenzoyl)amino]-4-phenylbenzoic acid;ethane
CID 143240188
2-[(5-bromo-2-phenylmethoxybenzoyl)amino]-4-phenylbenzoic acid
CID 67456646
2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853580
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264
2-acetyloxy-4-(4-acetyloxy-3-carboxyphenyl)benzoic acid
CID 122608425
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485
(2-hydroxy-5-phenylphenyl) acetate
CID 19755516
(2,4-diphenylphenyl) acetate
CID 57057849
2-acetamido-5-phenylbenzoic acid
CID 70700127
2-[(2-butoxy-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 70857388

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid?
The IUPAC name of 2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid (CID 89038090) is 2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid is CC(=O)Oc1ccc(-c2ccccc2)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid?
The InChIKey is LHXSAHFSACNYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO5/c1-18(30)34-26-15-13-21(19-8-4-2-5-9-19)16-24(26)27(31)29-25-17-22(12-14-23(25)28(32)33)20-10-6-3-7-11-20/h2-17H,1H3,(H,29,31)(H,32,33).
What are the key properties of 2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid?
2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid has a molecular weight of 451.48 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid is sourced from PubChem (CID 89038090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).