3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate

C20H20FNO4 — CID 32961243

IUPAC3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate
SMILESO=C(OCCCOc1ccc(F)cc1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H20FNO4/c21-16-7-9-18(10-8-16)25-11-2-12-26-20(24)15-3-1-4-17(13-15)22-19(23)14-5-6-14/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,22,23)
InChIKeyJQOQGUIJMKZPHA-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.80
Rot. Bonds8

About 3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate

3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate (PubChem CID 32961243) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate
PubChem CID32961243
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate
SMILESO=C(OCCCOc1ccc(F)cc1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C20H20FNO4/c21-16-7-9-18(10-8-16)25-11-2-12-26-20(24)15-3-1-4-17(13-15)22-19(23)14-5-6-14/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,22,23)
InChIKeyJQOQGUIJMKZPHA-UHFFFAOYSA-N
XLogP3.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenoxy)propyl 3-acetamidobenzoate
CID 7418041
3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide
CID 46443051
3-(4-fluorophenoxy)propyl 3,5-diacetamidobenzoate
CID 31431476
3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
CID 33047741
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 31710504
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572169
[2-oxo-2-(4-phenoxyanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32959940
4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148460
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32959819

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of 3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate (CID 32961243) is 3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for 3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for 3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate is O=C(OCCCOc1ccc(F)cc1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate?
The InChIKey is JQOQGUIJMKZPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c21-16-7-9-18(10-8-16)25-11-2-12-26-20(24)15-3-1-4-17(13-15)22-19(23)14-5-6-14/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,22,23).
What are the key properties of 3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate?
3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate has a molecular weight of 357.38 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 32961243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).