2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid

C15H12N2O5 — CID 681153

IUPAC2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid
SMILESO=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H12N2O5/c18-10-7-5-9(6-8-10)13(19)16-17-14(20)11-3-1-2-4-12(11)15(21)22/h1-8,18H,(H,16,19)(H,17,20)(H,21,22)
InChIKeyNDVVRHYEGGZEKX-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.17
Rot. Bonds3

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

2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid (PubChem CID 681153) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid
PubChem CID681153
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid
SMILESO=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H12N2O5/c18-10-7-5-9(6-8-10)13(19)16-17-14(20)11-3-1-2-4-12(11)15(21)22/h1-8,18H,(H,16,19)(H,17,20)(H,21,22)
InChIKeyNDVVRHYEGGZEKX-UHFFFAOYSA-N
XLogP1.17
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxybenzoic acid hydrazide
CID 1742
2-[[3-(4-propan-2-yloxyphenyl)propanoylamino]carbamoyl]benzoic Acid
CID 1983514
4-Hydroxy-N'-(4-isopropylbenzyl)benzohydrazide
CID 9549223
2-{[2-(3-Phenylpropanoyl)hydrazino]carbonyl}benzoic acid
CID 730600
2-[N'-(4-Isopropoxy-benzoyl)-hydrazinocarbonyl]-benzoic acid
CID 929530
6-{[2-(2-Hydroxybenzoyl)hydrazino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
CID 4744758
4-Hydroxy-benzoic acid N'-(3-methyl-benzoyl)-hydrazide
CID 813389
2-[[(2-Phenylacetyl)amino]carbamoyl]benzoic acid
CID 949048
N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide
CID 118712430
4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide
CID 118712432
Benzohydrazide, 11
CID 11369992
2-(N-((2-carboxyphenyl)carbonylamino)carbamoyl)benzoic acid
CID 291803

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid?
The IUPAC name of 2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid (CID 681153) is 2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid is O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid?
The InChIKey is NDVVRHYEGGZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-10-7-5-9(6-8-10)13(19)16-17-14(20)11-3-1-2-4-12(11)15(21)22/h1-8,18H,(H,16,19)(H,17,20)(H,21,22).
What are the key properties of 2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid?
2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid has a molecular weight of 300.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxybenzoyl)amino]carbamoyl]benzoic acid is sourced from PubChem (CID 681153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).