2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid

C21H16Cl2N2O4 — CID 10181142

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid
SMILESO=C(Nc1ccc(OCCc2ccccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N2O4/c22-13-4-6-16(18(23)11-13)20(26)25-19-7-5-15(12-17(19)21(27)28)29-10-8-14-3-1-2-9-24-14/h1-7,9,11-12H,8,10H2,(H,25,26)(H,27,28)
InChIKeyKPVYCWCEYPSTHH-UHFFFAOYSA-N
MW431.28 g/mol
LogP4.96
Rot. Bonds7

About 2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid

2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid (PubChem CID 10181142) has the molecular formula C21H16Cl2N2O4 and a molecular weight of 431.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid
PubChem CID10181142
Molecular FormulaC21H16Cl2N2O4
Molecular Weight431.28 g/mol
Exact Mass430.05
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid
SMILESO=C(Nc1ccc(OCCc2ccccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N2O4/c22-13-4-6-16(18(23)11-13)20(26)25-19-7-5-15(12-17(19)21(27)28)29-10-8-14-3-1-2-9-24-14/h1-7,9,11-12H,8,10H2,(H,25,26)(H,27,28)
InChIKeyKPVYCWCEYPSTHH-UHFFFAOYSA-N
XLogP4.96
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid (CID 10181142) is 2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid is O=C(Nc1ccc(OCCc2ccccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid?
The InChIKey is KPVYCWCEYPSTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O4/c22-13-4-6-16(18(23)11-13)20(26)25-19-7-5-15(12-17(19)21(27)28)29-10-8-14-3-1-2-9-24-14/h1-7,9,11-12H,8,10H2,(H,25,26)(H,27,28).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid?
2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid has a molecular weight of 431.28 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylethoxy)benzoic acid is sourced from PubChem (CID 10181142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).