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

C22H18N2O5 — CID 2264828

IUPAC4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C22H18N2O5/c1-29-17-12-8-14(9-13-17)20(25)24-19-5-3-2-4-18(19)21(26)23-16-10-6-15(7-11-16)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyAKPILHYUXCNMPO-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.90
Rot. Bonds6

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

4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid (PubChem CID 2264828) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
PubChem CID2264828
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C22H18N2O5/c1-29-17-12-8-14(9-13-17)20(25)24-19-5-3-2-4-18(19)21(26)23-16-10-6-15(7-11-16)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyAKPILHYUXCNMPO-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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Related Compounds

Tranilast
CID 5282230
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N-(3',4'-dimethoxycinnamoyl)anthranilic acid
CID 5527
2-(4-Methoxybenzamido)benzoic acid
CID 721421
4-(4-Methoxybenzylamino)benzoic acid
CID 2731039
2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic Acid
CID 2193203
2-[3-[4-(2-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11595935
2-[3-[4-(4-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11617732
2-[3-[4-(3-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11646494
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1034712
1-(3-Dimethylaminophenylcarboxamido)-3-(4-methoxyphenylcarboxamido)-4-methylbenzene
CID 23443377
3-[(4-Methoxybenzoyl)amino]benzoic acid
CID 584683

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid (CID 2264828) is 4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid is COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is AKPILHYUXCNMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-29-17-12-8-14(9-13-17)20(25)24-19-5-3-2-4-18(19)21(26)23-16-10-6-15(7-11-16)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
4-[[2-[(4-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 4-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 2264828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).