4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid

C14H10ClNO5 — CID 107702365

IUPAC4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C14H10ClNO5/c15-11-2-1-7(14(20)21)5-12(11)16-13(19)8-3-9(17)6-10(18)4-8/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyYFPSGCFJXFGEJQ-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.70
Rot. Bonds3

About 4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid

4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid (PubChem CID 107702365) has the molecular formula C14H10ClNO5 and a molecular weight of 307.69 g/mol. Its IUPAC name is 4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
PubChem CID107702365
Molecular FormulaC14H10ClNO5
Molecular Weight307.69 g/mol
Exact Mass307.02
IUPAC Name4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C14H10ClNO5/c15-11-2-1-7(14(20)21)5-12(11)16-13(19)8-3-9(17)6-10(18)4-8/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyYFPSGCFJXFGEJQ-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

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Related Compounds

4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
3-bromo-4-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702612
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694
4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
CID 107959571
3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270981
3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
CID 28675243
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683323
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
CID 61213678
4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 43358856

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid (CID 107702365) is 4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid is O=C(O)c1ccc(Cl)c(NC(=O)c2cc(O)cc(O)c2)c1.
What is the InChIKey of 4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid?
The InChIKey is YFPSGCFJXFGEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO5/c15-11-2-1-7(14(20)21)5-12(11)16-13(19)8-3-9(17)6-10(18)4-8/h1-6,17-18H,(H,16,19)(H,20,21).
What are the key properties of 4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid?
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic 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 4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107702365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).