butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate

C21H24FNO4 — CID 46763449

IUPACbutyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)C(CC)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FNO4/c1-3-5-14-26-21(25)15-6-10-17(11-7-15)23-20(24)19(4-2)27-18-12-8-16(22)9-13-18/h6-13,19H,3-5,14H2,1-2H3,(H,23,24)
InChIKeyQSEOXPRUDJLELA-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.58
Rot. Bonds9

About butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate

butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate (PubChem CID 46763449) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate.

Molecular Properties

Compound Namebutyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate
PubChem CID46763449
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Namebutyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)C(CC)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FNO4/c1-3-5-14-26-21(25)15-6-10-17(11-7-15)23-20(24)19(4-2)27-18-12-8-16(22)9-13-18/h6-13,19H,3-5,14H2,1-2H3,(H,23,24)
InChIKeyQSEOXPRUDJLELA-UHFFFAOYSA-N
XLogP4.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.58
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

butyl 4-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 92676627
butyl 4-[[(2S)-2-(3-chlorophenoxy)butanoyl]amino]benzoate
CID 28567491
butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 11624073
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
butyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 7926949
butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate
CID 7984457
pentyl 4-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267194
butyl 4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzoate
CID 7228837
butyl 4-[(2,4-difluorophenyl)carbamoylamino]benzoate
CID 46859665
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
hexyl 4-(2-phenoxypropanoylamino)benzoate
CID 53265697

Frequently Asked Questions

What is the IUPAC name of butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate?
The IUPAC name of butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate (CID 46763449) is butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate.
What is the SMILES notation for butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate?
The canonical SMILES for butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate is CCCCOC(=O)c1ccc(NC(=O)C(CC)Oc2ccc(F)cc2)cc1.
What is the InChIKey of butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate?
The InChIKey is QSEOXPRUDJLELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-3-5-14-26-21(25)15-6-10-17(11-7-15)23-20(24)19(4-2)27-18-12-8-16(22)9-13-18/h6-13,19H,3-5,14H2,1-2H3,(H,23,24).
What are the key properties of butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate?
butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate has a molecular weight of 373.42 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[2-(4-fluorophenoxy)butanoylamino]benzoate is sourced from PubChem (CID 46763449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).