ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid

C16H17NO4 — CID 143368686

IUPACethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
SMILESCC.O=C(Nc1ccccc1C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C14H11NO4.C2H6/c16-10-7-5-9(6-8-10)13(17)15-12-4-2-1-3-11(12)14(18)19;1-2/h1-8,16H,(H,15,17)(H,18,19);1-2H3
InChIKeyOOQFYAURXLXWID-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.37
Rot. Bonds3

About ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid

ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid (PubChem CID 143368686) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Nameethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
PubChem CID143368686
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Nameethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
SMILESCC.O=C(Nc1ccccc1C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C14H11NO4.C2H6/c16-10-7-5-9(6-8-10)13(17)15-12-4-2-1-3-11(12)14(18)19;1-2/h1-8,16H,(H,15,17)(H,18,19);1-2H3
InChIKeyOOQFYAURXLXWID-UHFFFAOYSA-N
XLogP3.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
bis(2-benzamidobenzoic acid);piperazine
CID 3045073
2-[(4-cyclopropylbenzoyl)amino]benzoic acid
CID 126822246
2-[[4-(1,1,2,2,2-pentafluoroethyl)benzoyl]amino]benzoic acid
CID 126822242
2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid
CID 45340861
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid (CID 143368686) is ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid is CC.O=C(Nc1ccccc1C(=O)O)c1ccc(O)cc1.
What is the InChIKey of ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is OOQFYAURXLXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4.C2H6/c16-10-7-5-9(6-8-10)13(17)15-12-4-2-1-3-11(12)14(18)19;1-2/h1-8,16H,(H,15,17)(H,18,19);1-2H3.
What are the key properties of ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid?
ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 287.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 143368686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).