2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid

C18H11Cl2N3O4 — CID 5289162

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)
InChIKeyVNDRRWBKNSHALL-UHFFFAOYSA-N
MW404.21 g/mol
LogP4.53
Rot. Bonds5

About 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid

2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid (PubChem CID 5289162) has the molecular formula C18H11Cl2N3O4 and a molecular weight of 404.21 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid
PubChem CID5289162
Molecular FormulaC18H11Cl2N3O4
Molecular Weight404.21 g/mol
Exact Mass403.01
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)
InChIKeyVNDRRWBKNSHALL-UHFFFAOYSA-N
XLogP4.53
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.21
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid (CID 5289162) is 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid is O=C(Nc1ccc(Oc2ncccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid?
The InChIKey is VNDRRWBKNSHALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid?
2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid has a molecular weight of 404.21 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid is sourced from PubChem (CID 5289162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).