3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid

C16H13Cl2NO4 — CID 1026303

IUPAC3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-2-23-14-12(17)7-10(8-13(14)18)15(20)19-11-5-3-4-9(6-11)16(21)22/h3-8H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyDZVLONPTRXOCBT-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.34
Rot. Bonds5

About 3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid

3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid (PubChem CID 1026303) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is 3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid
PubChem CID1026303
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid
SMILESCCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl
InChIInChI=1S/C16H13Cl2NO4/c1-2-23-14-12(17)7-10(8-13(14)18)15(20)19-11-5-3-4-9(6-11)16(21)22/h3-8H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyDZVLONPTRXOCBT-UHFFFAOYSA-N
XLogP4.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid (CID 1026303) is 3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid is CCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl.
What is the InChIKey of 3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid?
The InChIKey is DZVLONPTRXOCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c1-2-23-14-12(17)7-10(8-13(14)18)15(20)19-11-5-3-4-9(6-11)16(21)22/h3-8H,2H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid?
3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid has a molecular weight of 354.19 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 1026303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).