[4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate

C22H18ClNO5 — CID 1020005

IUPAC[4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H18ClNO5/c1-27-17-8-3-14(4-9-17)21(25)24-19-13-16(23)7-12-20(19)29-22(26)15-5-10-18(28-2)11-6-15/h3-13H,1-2H3,(H,24,25)
InChIKeyLNAXYZUGKOTDOR-UHFFFAOYSA-N
MW411.84 g/mol
LogP4.83
Rot. Bonds6

About [4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate

[4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate (PubChem CID 1020005) has the molecular formula C22H18ClNO5 and a molecular weight of 411.84 g/mol. Its IUPAC name is [4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate
PubChem CID1020005
Molecular FormulaC22H18ClNO5
Molecular Weight411.84 g/mol
Exact Mass411.09
IUPAC Name[4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H18ClNO5/c1-27-17-8-3-14(4-9-17)21(25)24-19-13-16(23)7-12-20(19)29-22(26)15-5-10-18(28-2)11-6-15/h3-13H,1-2H3,(H,24,25)
InChIKeyLNAXYZUGKOTDOR-UHFFFAOYSA-N
XLogP4.83
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate?
The IUPAC name of [4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate (CID 1020005) is [4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate?
The canonical SMILES for [4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Nc2cc(Cl)ccc2OC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate?
The InChIKey is LNAXYZUGKOTDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO5/c1-27-17-8-3-14(4-9-17)21(25)24-19-13-16(23)7-12-20(19)29-22(26)15-5-10-18(28-2)11-6-15/h3-13H,1-2H3,(H,24,25).
What are the key properties of [4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate?
[4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate has a molecular weight of 411.84 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(4-methoxybenzoyl)amino]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 1020005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).