methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate

C17H16FNO4 — CID 2934711

IUPACmethyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO4/c1-11(23-15-9-5-13(18)6-10-15)16(20)19-14-7-3-12(4-8-14)17(21)22-2/h3-11H,1-2H3,(H,19,20)
InChIKeyISPOKIPBKDADQW-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.02
Rot. Bonds5

About methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate

methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate (PubChem CID 2934711) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
PubChem CID2934711
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Namemethyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO4/c1-11(23-15-9-5-13(18)6-10-15)16(20)19-14-7-3-12(4-8-14)17(21)22-2/h3-11H,1-2H3,(H,19,20)
InChIKeyISPOKIPBKDADQW-UHFFFAOYSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7667506
4-O-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296570
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 53266248
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate?
The IUPAC name of methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate (CID 2934711) is methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate.
What is the SMILES notation for methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate?
The canonical SMILES for methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate is COC(=O)c1ccc(NC(=O)C(C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate?
The InChIKey is ISPOKIPBKDADQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-11(23-15-9-5-13(18)6-10-15)16(20)19-14-7-3-12(4-8-14)17(21)22-2/h3-11H,1-2H3,(H,19,20).
What are the key properties of methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate?
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate has a molecular weight of 317.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate is sourced from PubChem (CID 2934711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).