methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate

C16H14ClNO4 — CID 823924

IUPACmethyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C16H14ClNO4/c1-21-14-8-5-11(17)9-13(14)15(19)18-12-6-3-10(4-7-12)16(20)22-2/h3-9H,1-2H3,(H,18,19)
InChIKeyXQIAKSWYAHJVDJ-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.39
Rot. Bonds4

About methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate

methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate (PubChem CID 823924) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
PubChem CID823924
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Namemethyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C16H14ClNO4/c1-21-14-8-5-11(17)9-13(14)15(19)18-12-6-3-10(4-7-12)16(20)22-2/h3-9H,1-2H3,(H,18,19)
InChIKeyXQIAKSWYAHJVDJ-UHFFFAOYSA-N
XLogP3.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate (CID 823924) is methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate?
The InChIKey is XQIAKSWYAHJVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-21-14-8-5-11(17)9-13(14)15(19)18-12-6-3-10(4-7-12)16(20)22-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate?
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate has a molecular weight of 319.74 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 823924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).