5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid

C21H24ClNO7 — CID 45429945

IUPAC5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
SMILESCCOc1cc(C(=O)Nc2cc(OC)c(C(=O)O)cc2Cl)cc(OCC)c1OCC
InChIInChI=1S/C21H24ClNO7/c1-5-28-17-8-12(9-18(29-6-2)19(17)30-7-3)20(24)23-15-11-16(27-4)13(21(25)26)10-14(15)22/h8-11H,5-7H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyQGSCOSDKOMDYEA-UHFFFAOYSA-N
MW437.88 g/mol
LogP4.50
Rot. Bonds10

About 5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid

5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid (PubChem CID 45429945) has the molecular formula C21H24ClNO7 and a molecular weight of 437.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
PubChem CID45429945
Molecular FormulaC21H24ClNO7
Molecular Weight437.88 g/mol
Exact Mass437.12
IUPAC Name5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
SMILESCCOc1cc(C(=O)Nc2cc(OC)c(C(=O)O)cc2Cl)cc(OCC)c1OCC
InChIInChI=1S/C21H24ClNO7/c1-5-28-17-8-12(9-18(29-6-2)19(17)30-7-3)20(24)23-15-11-16(27-4)13(21(25)26)10-14(15)22/h8-11H,5-7H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyQGSCOSDKOMDYEA-UHFFFAOYSA-N
XLogP4.50
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 16774874
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid
CID 104669440
5-chloro-4-(furan-3-carbonylamino)-2-methoxybenzoic acid
CID 43614418
N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide
CID 16774665
ethyl 5-chloro-2-methoxy-4-[(4-methylbenzoyl)amino]benzoate
CID 19226546
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
5-chloro-2-methoxy-4-(pentylcarbamoylamino)benzoic acid
CID 61182726
N-(4-amino-2-chloro-5-ethoxyphenyl)benzamide
CID 23464367
3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
CID 42057269
4-(1,3-benzodioxole-5-carbonylamino)-5-chloro-2-methoxybenzoic acid
CID 45430005

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid (CID 45429945) is 5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid is CCOc1cc(C(=O)Nc2cc(OC)c(C(=O)O)cc2Cl)cc(OCC)c1OCC.
What is the InChIKey of 5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid?
The InChIKey is QGSCOSDKOMDYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO7/c1-5-28-17-8-12(9-18(29-6-2)19(17)30-7-3)20(24)23-15-11-16(27-4)13(21(25)26)10-14(15)22/h8-11H,5-7H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid?
5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid has a molecular weight of 437.88 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 45429945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).