5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid

C14H10ClNO5 — CID 106500152

IUPAC5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(O)ccc2Cl)ccc1O
InChIInChI=1S/C14H10ClNO5/c15-11-3-2-8(17)6-9(11)13(19)16-7-1-4-12(18)10(5-7)14(20)21/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyQNFCFGHEAVKPJD-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.70
Rot. Bonds3

About 5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid

5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 106500152) has the molecular formula C14H10ClNO5 and a molecular weight of 307.69 g/mol. Its IUPAC name is 5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID106500152
Molecular FormulaC14H10ClNO5
Molecular Weight307.69 g/mol
Exact Mass307.02
IUPAC Name5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(O)ccc2Cl)ccc1O
InChIInChI=1S/C14H10ClNO5/c15-11-3-2-8(17)6-9(11)13(19)16-7-1-4-12(18)10(5-7)14(20)21/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyQNFCFGHEAVKPJD-UHFFFAOYSA-N
XLogP2.70
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide
CID 107721355
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 43805393
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid
CID 871568
N-(3,5-dichlorophenyl)-2,5-dihydroxybenzamide
CID 107722277
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
2-chloro-N-(3-fluoro-4-methylphenyl)-5-hydroxybenzamide
CID 106501312
4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500157
2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid (CID 106500152) is 5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid is O=C(O)c1cc(NC(=O)c2cc(O)ccc2Cl)ccc1O.
What is the InChIKey of 5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is QNFCFGHEAVKPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO5/c15-11-3-2-8(17)6-9(11)13(19)16-7-1-4-12(18)10(5-7)14(20)21/h1-6,17-18H,(H,16,19)(H,20,21).
What are the key properties of 5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid?
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 307.69 g/mol, XLogP of 2.70, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 106500152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).