ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate

C17H16FNO4 — CID 26636676

IUPACethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C17H16FNO4/c1-2-22-17(21)12-6-8-14(9-7-12)19-16(20)11-23-15-5-3-4-13(18)10-15/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyOSELCRQLDPIMTO-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.02
Rot. Bonds6

About ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate

ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate (PubChem CID 26636676) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
PubChem CID26636676
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Nameethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C17H16FNO4/c1-2-22-17(21)12-6-8-14(9-7-12)19-16(20)11-23-15-5-3-4-13(18)10-15/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyOSELCRQLDPIMTO-UHFFFAOYSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 7834630
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
CID 66489078
ethyl 4-[[2-(3-nitrophenoxy)acetyl]amino]benzoate
CID 7865514
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
ethyl 4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzoate
CID 2627574
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042
N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide
CID 2709478
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate
CID 15008323

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate (CID 26636676) is ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2cccc(F)c2)cc1.
What is the InChIKey of ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate?
The InChIKey is OSELCRQLDPIMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-2-22-17(21)12-6-8-14(9-7-12)19-16(20)11-23-15-5-3-4-13(18)10-15/h3-10H,2,11H2,1H3,(H,19,20).
What are the key properties of ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate?
ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate has a molecular weight of 317.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 26636676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).