2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid

C22H17FN2O5 — CID 54762188

IUPAC2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)O)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C22H17FN2O5/c1-30-13-10-11-15(21(27)24-18-9-5-3-7-16(18)22(28)29)19(12-13)25-20(26)14-6-2-4-8-17(14)23/h2-12H,1H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyAUTIEJQEJLMKFK-UHFFFAOYSA-N
MW408.39 g/mol
LogP4.04
Rot. Bonds6

About 2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid

2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid (PubChem CID 54762188) has the molecular formula C22H17FN2O5 and a molecular weight of 408.39 g/mol. Its IUPAC name is 2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid
PubChem CID54762188
Molecular FormulaC22H17FN2O5
Molecular Weight408.39 g/mol
Exact Mass408.11
IUPAC Name2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)O)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C22H17FN2O5/c1-30-13-10-11-15(21(27)24-18-9-5-3-7-16(18)22(28)29)19(12-13)25-20(26)14-6-2-4-8-17(14)23/h2-12H,1H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyAUTIEJQEJLMKFK-UHFFFAOYSA-N
XLogP4.04
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid?
The IUPAC name of 2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid (CID 54762188) is 2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid is COc1ccc(C(=O)Nc2ccccc2C(=O)O)c(NC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid?
The InChIKey is AUTIEJQEJLMKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O5/c1-30-13-10-11-15(21(27)24-18-9-5-3-7-16(18)22(28)29)19(12-13)25-20(26)14-6-2-4-8-17(14)23/h2-12H,1H3,(H,24,27)(H,25,26)(H,28,29).
What are the key properties of 2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid?
2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid has a molecular weight of 408.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]benzoic acid is sourced from PubChem (CID 54762188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).