2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid

C24H17N3O4 — CID 66990128

IUPAC2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(-c2ncccn2)cc1O
InChIInChI=1S/C24H17N3O4/c28-21-14-17(22-25-11-4-12-26-22)8-10-19(21)23(29)27-20-13-16(7-9-18(20)24(30)31)15-5-2-1-3-6-15/h1-14,28H,(H,27,29)(H,30,31)
InChIKeyKAYLLJAJJAVNKL-UHFFFAOYSA-N
MW411.42 g/mol
LogP4.47
Rot. Bonds5

About 2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid

2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid (PubChem CID 66990128) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
PubChem CID66990128
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC Name2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(-c2ncccn2)cc1O
InChIInChI=1S/C24H17N3O4/c28-21-14-17(22-25-11-4-12-26-22)8-10-19(21)23(29)27-20-13-16(7-9-18(20)24(30)31)15-5-2-1-3-6-15/h1-14,28H,(H,27,29)(H,30,31)
InChIKeyKAYLLJAJJAVNKL-UHFFFAOYSA-N
XLogP4.47
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
CID 67343058
2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
CID 87408033
4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 58508716
tert-butyl 2-amino-4-phenylbenzoate;tert-butyl 2-[(2-hydroxy-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoate;tert-butyl 2-[(2-methyl-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoate;2-[(2-hydroxy-5-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 159182019
4-phenyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
CID 67343979
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485
sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 173036826
2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853580
2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid
CID 89038090

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid?
The IUPAC name of 2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid (CID 66990128) is 2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid is O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(-c2ncccn2)cc1O.
What is the InChIKey of 2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid?
The InChIKey is KAYLLJAJJAVNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4/c28-21-14-17(22-25-11-4-12-26-22)8-10-19(21)23(29)27-20-13-16(7-9-18(20)24(30)31)15-5-2-1-3-6-15/h1-14,28H,(H,27,29)(H,30,31).
What are the key properties of 2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid?
2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid has a molecular weight of 411.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid is sourced from PubChem (CID 66990128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).