2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid

C22H17Cl2NO4 — CID 10159755

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid
SMILESCCOc1cccc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C22H17Cl2NO4/c1-2-29-16-5-3-4-13(10-16)14-6-9-20(18(11-14)22(27)28)25-21(26)17-8-7-15(23)12-19(17)24/h3-12H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyLGBAGNSJMLBFGM-UHFFFAOYSA-N
MW430.29 g/mol
LogP6.01
Rot. Bonds6

About 2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid

2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid (PubChem CID 10159755) has the molecular formula C22H17Cl2NO4 and a molecular weight of 430.29 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid
PubChem CID10159755
Molecular FormulaC22H17Cl2NO4
Molecular Weight430.29 g/mol
Exact Mass429.05
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid
SMILESCCOc1cccc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C22H17Cl2NO4/c1-2-29-16-5-3-4-13(10-16)14-6-9-20(18(11-14)22(27)28)25-21(26)17-8-7-15(23)12-19(17)24/h3-12H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyLGBAGNSJMLBFGM-UHFFFAOYSA-N
XLogP6.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.29
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid (CID 10159755) is 2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid is CCOc1cccc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid?
The InChIKey is LGBAGNSJMLBFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO4/c1-2-29-16-5-3-4-13(10-16)14-6-9-20(18(11-14)22(27)28)25-21(26)17-8-7-15(23)12-19(17)24/h3-12H,2H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid?
2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid has a molecular weight of 430.29 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-(3-ethoxyphenyl)benzoic acid is sourced from PubChem (CID 10159755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).