2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid

C23H19NO7 — CID 17341130

IUPAC2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c(C(=O)O)cc1OC
InChIInChI=1S/C23H19NO7/c1-30-19-11-17(23(28)29)18(12-20(19)31-2)24-21(25)15-9-5-3-7-13(15)14-8-4-6-10-16(14)22(26)27/h3-12H,1-2H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyWKQBLGCKJDYADN-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.02
Rot. Bonds7

About 2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid

2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid (PubChem CID 17341130) has the molecular formula C23H19NO7 and a molecular weight of 421.41 g/mol. Its IUPAC name is 2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
PubChem CID17341130
Molecular FormulaC23H19NO7
Molecular Weight421.41 g/mol
Exact Mass421.12
IUPAC Name2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c(C(=O)O)cc1OC
InChIInChI=1S/C23H19NO7/c1-30-19-11-17(23(28)29)18(12-20(19)31-2)24-21(25)15-9-5-3-7-13(15)14-8-4-6-10-16(14)22(26)27/h3-12H,1-2H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyWKQBLGCKJDYADN-UHFFFAOYSA-N
XLogP4.02
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
CID 1428068
2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid
CID 8005134
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid
CID 1113667
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid (CID 17341130) is 2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid is COc1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid?
The InChIKey is WKQBLGCKJDYADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO7/c1-30-19-11-17(23(28)29)18(12-20(19)31-2)24-21(25)15-9-5-3-7-13(15)14-8-4-6-10-16(14)22(26)27/h3-12H,1-2H3,(H,24,25)(H,26,27)(H,28,29).
What are the key properties of 2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid?
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid has a molecular weight of 421.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 17341130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).