[benzoyl-[(4-chlorophenyl)methoxy]amino] acetate

C16H14ClNO4 — CID 3025743

IUPAC[benzoyl-[(4-chlorophenyl)methoxy]amino] acetate
SMILESCC(=O)ON(OCc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO4/c1-12(19)22-18(16(20)14-5-3-2-4-6-14)21-11-13-7-9-15(17)10-8-13/h2-10H,11H2,1H3
InChIKeyRERIXDWNXBOEON-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.39
Rot. Bonds4

About [benzoyl-[(4-chlorophenyl)methoxy]amino] acetate

[benzoyl-[(4-chlorophenyl)methoxy]amino] acetate (PubChem CID 3025743) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is [benzoyl-[(4-chlorophenyl)methoxy]amino] acetate.

Molecular Properties

Compound Name[benzoyl-[(4-chlorophenyl)methoxy]amino] acetate
PubChem CID3025743
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name[benzoyl-[(4-chlorophenyl)methoxy]amino] acetate
SMILESCC(=O)ON(OCc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO4/c1-12(19)22-18(16(20)14-5-3-2-4-6-14)21-11-13-7-9-15(17)10-8-13/h2-10H,11H2,1H3
InChIKeyRERIXDWNXBOEON-UHFFFAOYSA-N
XLogP3.39
TPSA55.84 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(benzyloxy)-4-chlorobenzamide
CID 4990600
N-(benzyloxy)-2,4-dichlorobenzamide
CID 11460648
4-chloro-N-[(4-methylbenzyl)oxy]benzamide
CID 19581648
N-(2-bromobenzoyloxy)-4-chlorobenzamide
CID 1348789
2-chloro-N-[(4-methylbenzyl)oxy]benzamide
CID 5243837
N-Acetoxy-N-benzyloxybenzamide
CID 154238
Benzamide, N-(benzoyloxy)-N-(phenylmethoxy)-
CID 3025962
2-[Benzoyl-[(4-chlorophenyl)methoxy]amino]propanoic acid
CID 137638630
N-(Acetyloxy)-N-((4-methylphenyl)methoxy)benzamide
CID 3025742
4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide
CID 390372
4-chloro-N-{[(2E)-3-phenylprop-2-enoyl]oxy}benzamide
CID 745373
Benzamide, N-((4-methylbenzoyl)oxy)-N-(phenylmethoxy)-
CID 3025964

Frequently Asked Questions

What is the IUPAC name of [benzoyl-[(4-chlorophenyl)methoxy]amino] acetate?
The IUPAC name of [benzoyl-[(4-chlorophenyl)methoxy]amino] acetate (CID 3025743) is [benzoyl-[(4-chlorophenyl)methoxy]amino] acetate.
What is the SMILES notation for [benzoyl-[(4-chlorophenyl)methoxy]amino] acetate?
The canonical SMILES for [benzoyl-[(4-chlorophenyl)methoxy]amino] acetate is CC(=O)ON(OCc1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of [benzoyl-[(4-chlorophenyl)methoxy]amino] acetate?
The InChIKey is RERIXDWNXBOEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-12(19)22-18(16(20)14-5-3-2-4-6-14)21-11-13-7-9-15(17)10-8-13/h2-10H,11H2,1H3.
What are the key properties of [benzoyl-[(4-chlorophenyl)methoxy]amino] acetate?
[benzoyl-[(4-chlorophenyl)methoxy]amino] acetate has a molecular weight of 319.74 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyl-[(4-chlorophenyl)methoxy]amino] acetate is sourced from PubChem (CID 3025743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).