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

C22H18N2O5 — CID 2193203

IUPAC2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H18N2O5/c1-29-19-9-5-3-7-17(19)21(26)23-15-12-10-14(11-13-15)20(25)24-18-8-4-2-6-16(18)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyGYZZRJRJYVMXNS-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.90
Rot. Bonds6

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

2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid (PubChem CID 2193203) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
PubChem CID2193203
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H18N2O5/c1-29-19-9-5-3-7-17(19)21(26)23-15-12-10-14(11-13-15)20(25)24-18-8-4-2-6-16(18)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyGYZZRJRJYVMXNS-UHFFFAOYSA-N
XLogP3.90
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid (CID 2193203) is 2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid is COc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is GYZZRJRJYVMXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-29-19-9-5-3-7-17(19)21(26)23-15-12-10-14(11-13-15)20(25)24-18-8-4-2-6-16(18)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid has a molecular weight of 390.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 2193203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).