[(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate

C15H9ClFNO4 — CID 174579785

IUPAC[(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate
SMILESO=Cc1cc(F)c(C(=O)NOC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C15H9ClFNO4/c16-12-7-11(13(17)6-10(12)8-19)14(20)18-22-15(21)9-4-2-1-3-5-9/h1-8H,(H,18,20)
InChIKeyFHDZTZAJIMEYRP-UHFFFAOYSA-N
MW321.69 g/mol
LogP2.79
Rot. Bonds3

About [(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate

[(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate (PubChem CID 174579785) has the molecular formula C15H9ClFNO4 and a molecular weight of 321.69 g/mol. Its IUPAC name is [(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate.

Molecular Properties

Compound Name[(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate
PubChem CID174579785
Molecular FormulaC15H9ClFNO4
Molecular Weight321.69 g/mol
Exact Mass321.02
IUPAC Name[(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate
SMILESO=Cc1cc(F)c(C(=O)NOC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C15H9ClFNO4/c16-12-7-11(13(17)6-10(12)8-19)14(20)18-22-15(21)9-4-2-1-3-5-9/h1-8H,(H,18,20)
InChIKeyFHDZTZAJIMEYRP-UHFFFAOYSA-N
XLogP2.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 4990600
CID 4990600
CID 11460648
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CID 19581648
CID 19581648
CID 5243837
CID 5243837
CID 2804334
CID 2804334
CID 3025743
CID 3025743
CID 53785786
CID 53785786
CID 67128745
CID 67128745
CID 87732017
CID 87732017
CID 117926919
CID 117926919
CID 2804317
CID 2804317
CID 26062082
CID 26062082

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate?
The IUPAC name of [(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate (CID 174579785) is [(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate.
What is the SMILES notation for [(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate?
The canonical SMILES for [(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate is O=Cc1cc(F)c(C(=O)NOC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of [(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate?
The InChIKey is FHDZTZAJIMEYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO4/c16-12-7-11(13(17)6-10(12)8-19)14(20)18-22-15(21)9-4-2-1-3-5-9/h1-8H,(H,18,20).
What are the key properties of [(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate?
[(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate has a molecular weight of 321.69 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-fluoro-4-formylbenzoyl)amino] benzoate is sourced from PubChem (CID 174579785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).