2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid

C22H16N2O6 — CID 1011264

IUPAC2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C22H16N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIKeyDKCKVYZVRRUUQF-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.59
Rot. Bonds6

About 2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid

2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid (PubChem CID 1011264) has the molecular formula C22H16N2O6 and a molecular weight of 404.38 g/mol. Its IUPAC name is 2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid
PubChem CID1011264
Molecular FormulaC22H16N2O6
Molecular Weight404.38 g/mol
Exact Mass404.10
IUPAC Name2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccccc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C22H16N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIKeyDKCKVYZVRRUUQF-UHFFFAOYSA-N
XLogP3.59
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Naptalam
CID 8594
Ftaxilide
CID 71895
Phthalanilic acid
CID 78458
Naptalam sodium
CID 23690427
3'-Methylphthalanilic acid
CID 6821
Kartogenin
CID 2826191
Benzoic acid, 2-[(diphenylamino)carbonyl]-
CID 231357
2-(((2,3-Dimethylphenyl)amino)carbonyl)benzoic acid
CID 98770
N-(3,4-Xylyl)phthalamic acid
CID 295107
2-((2-(Aminocarbonyl)anilino)carbonyl)benzoic acid
CID 318129
Mls000757200
CID 349243
3-(3-Carboxypropanamido)benzoic acid
CID 757562

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid (CID 1011264) is 2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccccc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid?
The InChIKey is DKCKVYZVRRUUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30).
What are the key properties of 2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid?
2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid has a molecular weight of 404.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 1011264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).