2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid

C16H12ClNO6 — CID 10154849

IUPAC2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid
SMILESCOc1ccc(Cl)c(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C16H12ClNO6/c1-24-9-6-7-11(17)13(8-9)18(14(19)16(22)23)12-5-3-2-4-10(12)15(20)21/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyAJDZKNPODKHUJQ-UHFFFAOYSA-N
MW349.73 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid

2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid (PubChem CID 10154849) has the molecular formula C16H12ClNO6 and a molecular weight of 349.73 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid.

Molecular Properties

Compound Name2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid
PubChem CID10154849
Molecular FormulaC16H12ClNO6
Molecular Weight349.73 g/mol
Exact Mass349.04
IUPAC Name2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid
SMILESCOc1ccc(Cl)c(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C16H12ClNO6/c1-24-9-6-7-11(17)13(8-9)18(14(19)16(22)23)12-5-3-2-4-10(12)15(20)21/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyAJDZKNPODKHUJQ-UHFFFAOYSA-N
XLogP2.80
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
CID 117305828
N-(2-chloro-5-methoxyphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide
CID 23342599
2-(2,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309612
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
2-[2-chloro-N-[(2,4-dimethoxyphenyl)methyl]anilino]acetic acid
CID 69368554
2-[ethyl(methyl)amino]-4-methoxybenzoic acid
CID 81304499
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485
2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid
CID 53227218
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-(2-carboxyphenyl)sulfinyl-4-methoxybenzoic acid
CID 102253869

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid?
The IUPAC name of 2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid (CID 10154849) is 2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid.
What is the SMILES notation for 2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid?
The canonical SMILES for 2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid is COc1ccc(Cl)c(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid?
The InChIKey is AJDZKNPODKHUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO6/c1-24-9-6-7-11(17)13(8-9)18(14(19)16(22)23)12-5-3-2-4-10(12)15(20)21/h2-8H,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid?
2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid has a molecular weight of 349.73 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid is sourced from PubChem (CID 10154849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).