3-(4-fluorophenoxy)propyl 2-benzamidoacetate

C18H18FNO4 — CID 7889609

IUPAC3-(4-fluorophenoxy)propyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCCCOc1ccc(F)cc1
InChIInChI=1S/C18H18FNO4/c19-15-7-9-16(10-8-15)23-11-4-12-24-17(21)13-20-18(22)14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,20,22)
InChIKeyDUSQRCWANNNFMU-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.57
Rot. Bonds8

About 3-(4-fluorophenoxy)propyl 2-benzamidoacetate

3-(4-fluorophenoxy)propyl 2-benzamidoacetate (PubChem CID 7889609) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propyl 2-benzamidoacetate.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propyl 2-benzamidoacetate
PubChem CID7889609
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name3-(4-fluorophenoxy)propyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCCCOc1ccc(F)cc1
InChIInChI=1S/C18H18FNO4/c19-15-7-9-16(10-8-15)23-11-4-12-24-17(21)13-20-18(22)14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,20,22)
InChIKeyDUSQRCWANNNFMU-UHFFFAOYSA-N
XLogP2.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.57
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 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7899454
3-phenoxypropyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 55568498
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
(4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate
CID 42965639
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 16530168
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788015
[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885788
4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 27822358

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)propyl 2-benzamidoacetate?
The IUPAC name of 3-(4-fluorophenoxy)propyl 2-benzamidoacetate (CID 7889609) is 3-(4-fluorophenoxy)propyl 2-benzamidoacetate.
What is the SMILES notation for 3-(4-fluorophenoxy)propyl 2-benzamidoacetate?
The canonical SMILES for 3-(4-fluorophenoxy)propyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCCCOc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)propyl 2-benzamidoacetate?
The InChIKey is DUSQRCWANNNFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c19-15-7-9-16(10-8-15)23-11-4-12-24-17(21)13-20-18(22)14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,20,22).
What are the key properties of 3-(4-fluorophenoxy)propyl 2-benzamidoacetate?
3-(4-fluorophenoxy)propyl 2-benzamidoacetate has a molecular weight of 331.34 g/mol, XLogP of 2.57, 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 2-benzamidoacetate is sourced from PubChem (CID 7889609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).