3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid

C14H10ClNO5 — CID 107688176

IUPAC3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NC(=O)c2c(O)cccc2O)c1
InChIInChI=1S/C14H10ClNO5/c15-8-4-7(14(20)21)5-9(6-8)16-13(19)12-10(17)2-1-3-11(12)18/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyATRHKCYDMSCOTQ-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.70
Rot. Bonds3

About 3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid

3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid (PubChem CID 107688176) has the molecular formula C14H10ClNO5 and a molecular weight of 307.69 g/mol. Its IUPAC name is 3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid
PubChem CID107688176
Molecular FormulaC14H10ClNO5
Molecular Weight307.69 g/mol
Exact Mass307.02
IUPAC Name3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NC(=O)c2c(O)cccc2O)c1
InChIInChI=1S/C14H10ClNO5/c15-8-4-7(14(20)21)5-9(6-8)16-13(19)12-10(17)2-1-3-11(12)18/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyATRHKCYDMSCOTQ-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

N-(3,5-dichlorophenyl)-2,6-dihydroxybenzamide
CID 107688954
3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
CID 81361883
3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid
CID 81362091
3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
CID 43452757
N-(3-chloro-5-fluorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107366833
3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 103791300
3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid
CID 106703565
3-chloro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 146121578
2,3,4,5-tetrachloro-6-[(3-chlorophenyl)carbamoyl]benzoic acid
CID 5211269
N-(3-amino-4-chlorophenyl)-2,6-dihydroxybenzamide
CID 107687543
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
N-(3-acetamidophenyl)-2,6-dihydroxybenzamide
CID 103748896

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid (CID 107688176) is 3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid is O=C(O)c1cc(Cl)cc(NC(=O)c2c(O)cccc2O)c1.
What is the InChIKey of 3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid?
The InChIKey is ATRHKCYDMSCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO5/c15-8-4-7(14(20)21)5-9(6-8)16-13(19)12-10(17)2-1-3-11(12)18/h1-6,17-18H,(H,16,19)(H,20,21).
What are the key properties of 3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid?
3-chloro-5-[(2,6-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 3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107688176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).