4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane

C16H15Cl2NO4 — CID 153343129

IUPAC4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
SMILESCC.O=C(O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(O)c1
InChIInChI=1S/C14H9Cl2NO4.C2H6/c15-9-3-8(4-10(16)6-9)13(19)17-11-2-1-7(14(20)21)5-12(11)18;1-2/h1-6,18H,(H,17,19)(H,20,21);1-2H3
InChIKeyQTHIZBNMYMSEBN-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.68
Rot. Bonds3

About 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane

4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane (PubChem CID 153343129) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.21 g/mol. Its IUPAC name is 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane.

Molecular Properties

Compound Name4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
PubChem CID153343129
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
SMILESCC.O=C(O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(O)c1
InChIInChI=1S/C14H9Cl2NO4.C2H6/c15-9-3-8(4-10(16)6-9)13(19)17-11-2-1-7(14(20)21)5-12(11)18;1-2/h1-6,18H,(H,17,19)(H,20,21);1-2H3
InChIKeyQTHIZBNMYMSEBN-UHFFFAOYSA-N
XLogP4.68
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 107937789
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 107812540
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826732
4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid
CID 108744182
3-hydroxy-4-[(2,3,6-trichlorobenzoyl)amino]benzoic acid
CID 108744147
4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826406
4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 108766491
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
3-hydroxy-4-[(4-methyl-3,5-dinitrobenzoyl)amino]benzoic acid
CID 108744179

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane?
The IUPAC name of 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane (CID 153343129) is 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane.
What is the SMILES notation for 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane?
The canonical SMILES for 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane is CC.O=C(O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(O)c1.
What is the InChIKey of 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane?
The InChIKey is QTHIZBNMYMSEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO4.C2H6/c15-9-3-8(4-10(16)6-9)13(19)17-11-2-1-7(14(20)21)5-12(11)18;1-2/h1-6,18H,(H,17,19)(H,20,21);1-2H3.
What are the key properties of 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane?
4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane has a molecular weight of 356.21 g/mol, XLogP of 4.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane is sourced from PubChem (CID 153343129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).