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

C16H14ClNO5 — CID 45429951

IUPAC5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(OC)c(C(=O)O)cc2Cl)cc1
InChIInChI=1S/C16H14ClNO5/c1-22-10-5-3-9(4-6-10)15(19)18-13-8-14(23-2)11(16(20)21)7-12(13)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNQQLUWMRVYWHLL-UHFFFAOYSA-N
MW335.74 g/mol
LogP3.31
Rot. Bonds5

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

5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid (PubChem CID 45429951) has the molecular formula C16H14ClNO5 and a molecular weight of 335.74 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
PubChem CID45429951
Molecular FormulaC16H14ClNO5
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(OC)c(C(=O)O)cc2Cl)cc1
InChIInChI=1S/C16H14ClNO5/c1-22-10-5-3-9(4-6-10)15(19)18-13-8-14(23-2)11(16(20)21)7-12(13)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNQQLUWMRVYWHLL-UHFFFAOYSA-N
XLogP3.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid
CID 104669440
5-chloro-4-(furan-3-carbonylamino)-2-methoxybenzoic acid
CID 43614418
5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 45429945
4-(1,3-benzodioxole-5-carbonylamino)-5-chloro-2-methoxybenzoic acid
CID 45430005
4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid
CID 46916164
5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid
CID 43406221
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546
5-chloro-4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-2-methoxybenzoic acid
CID 108804649
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid (CID 45429951) is 5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid is COc1ccc(C(=O)Nc2cc(OC)c(C(=O)O)cc2Cl)cc1.
What is the InChIKey of 5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid?
The InChIKey is NQQLUWMRVYWHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5/c1-22-10-5-3-9(4-6-10)15(19)18-13-8-14(23-2)11(16(20)21)7-12(13)17/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid?
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid has a molecular weight of 335.74 g/mol, XLogP of 3.31, 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-[(4-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 45429951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).