2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid

C22H18N2O5 — CID 17341336

IUPAC2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C22H18N2O5/c1-29-19-12-5-3-10-17(19)21(26)23-15-8-6-7-14(13-15)20(25)24-18-11-4-2-9-16(18)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyIGRDVDJAJGBNGV-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.90
Rot. Bonds6

About 2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid

2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid (PubChem CID 17341336) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
PubChem CID17341336
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C22H18N2O5/c1-29-19-12-5-3-10-17(19)21(26)23-15-8-6-7-14(13-15)20(25)24-18-11-4-2-9-16(18)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyIGRDVDJAJGBNGV-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

2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 2204072
2-[[3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid
CID 9321006
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636649
2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17297003
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]benzoic acid
CID 1321809
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279
2-benzamido-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 112767345
3-benzamido-N-(2-methoxy-4-methylphenyl)benzamide
CID 5082074
2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide
CID 90010848

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid (CID 17341336) is 2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid is COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is IGRDVDJAJGBNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-29-19-12-5-3-10-17(19)21(26)23-15-8-6-7-14(13-15)20(25)24-18-11-4-2-9-16(18)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid?
2-[[3-[(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-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 17341336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).