5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid

C13H16ClNO5 — CID 103018243

IUPAC5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
SMILESCOc1cc(NC(=O)C(C)(C)OC)c(Cl)cc1C(=O)O
InChIInChI=1S/C13H16ClNO5/c1-13(2,20-4)12(18)15-9-6-10(19-3)7(11(16)17)5-8(9)14/h5-6H,1-4H3,(H,15,18)(H,16,17)
InChIKeyVQZRYICOTMIDNE-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.41
Rot. Bonds5

About 5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid

5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid (PubChem CID 103018243) has the molecular formula C13H16ClNO5 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
PubChem CID103018243
Molecular FormulaC13H16ClNO5
Molecular Weight301.73 g/mol
Exact Mass301.07
IUPAC Name5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
SMILESCOc1cc(NC(=O)C(C)(C)OC)c(Cl)cc1C(=O)O
InChIInChI=1S/C13H16ClNO5/c1-13(2,20-4)12(18)15-9-6-10(19-3)7(11(16)17)5-8(9)14/h5-6H,1-4H3,(H,15,18)(H,16,17)
InChIKeyVQZRYICOTMIDNE-UHFFFAOYSA-N
XLogP2.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(tert-butylamino)acetyl]amino]-5-chloro-2-methoxybenzoic acid
CID 79264721
5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid
CID 84760610
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
5-chloro-4-(cyclopropylmethylcarbamoylamino)-2-methoxybenzoic acid
CID 61182662
4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid
CID 43614436
methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19170678
4-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-chloro-2-methoxybenzoic acid
CID 79012377
5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 43406220
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
5-chloro-2-methoxy-4-(2-methylsulfonylpropanoylamino)benzoic acid
CID 104517466
4-[(3-amino-2-methoxypropanoyl)amino]-5-chloro-2-methoxybenzoic acid
CID 106112325
5-chloro-2-methoxy-4-(2-methylprop-2-enylcarbamoylamino)benzoic acid
CID 114618222

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid (CID 103018243) is 5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid is COc1cc(NC(=O)C(C)(C)OC)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid?
The InChIKey is VQZRYICOTMIDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5/c1-13(2,20-4)12(18)15-9-6-10(19-3)7(11(16)17)5-8(9)14/h5-6H,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid?
5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid has a molecular weight of 301.73 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid is sourced from PubChem (CID 103018243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).