[benzoyl(phenylmethoxy)amino] 4-chlorobenzoate

C21H16ClNO4 — CID 3025965

IUPAC[benzoyl(phenylmethoxy)amino] 4-chlorobenzoate
SMILESO=C(ON(OCc1ccccc1)C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClNO4/c22-19-13-11-18(12-14-19)21(25)27-23(20(24)17-9-5-2-6-10-17)26-15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyCUYGAWYEFLAINT-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.69
Rot. Bonds5

About [benzoyl(phenylmethoxy)amino] 4-chlorobenzoate

[benzoyl(phenylmethoxy)amino] 4-chlorobenzoate (PubChem CID 3025965) has the molecular formula C21H16ClNO4 and a molecular weight of 381.82 g/mol. Its IUPAC name is [benzoyl(phenylmethoxy)amino] 4-chlorobenzoate.

Molecular Properties

Compound Name[benzoyl(phenylmethoxy)amino] 4-chlorobenzoate
PubChem CID3025965
Molecular FormulaC21H16ClNO4
Molecular Weight381.82 g/mol
Exact Mass381.08
IUPAC Name[benzoyl(phenylmethoxy)amino] 4-chlorobenzoate
SMILESO=C(ON(OCc1ccccc1)C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClNO4/c22-19-13-11-18(12-14-19)21(25)27-23(20(24)17-9-5-2-6-10-17)26-15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyCUYGAWYEFLAINT-UHFFFAOYSA-N
XLogP4.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [benzoyl(phenylmethoxy)amino] 4-chlorobenzoate?
The IUPAC name of [benzoyl(phenylmethoxy)amino] 4-chlorobenzoate (CID 3025965) is [benzoyl(phenylmethoxy)amino] 4-chlorobenzoate.
What is the SMILES notation for [benzoyl(phenylmethoxy)amino] 4-chlorobenzoate?
The canonical SMILES for [benzoyl(phenylmethoxy)amino] 4-chlorobenzoate is O=C(ON(OCc1ccccc1)C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [benzoyl(phenylmethoxy)amino] 4-chlorobenzoate?
The InChIKey is CUYGAWYEFLAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO4/c22-19-13-11-18(12-14-19)21(25)27-23(20(24)17-9-5-2-6-10-17)26-15-16-7-3-1-4-8-16/h1-14H,15H2.
What are the key properties of [benzoyl(phenylmethoxy)amino] 4-chlorobenzoate?
[benzoyl(phenylmethoxy)amino] 4-chlorobenzoate has a molecular weight of 381.82 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyl(phenylmethoxy)amino] 4-chlorobenzoate is sourced from PubChem (CID 3025965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).