2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide

C19H20FN3O6 — CID 55413100

IUPAC2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)NNC(=O)C(C)Oc2ccccc2F)ccc1OCC(N)=O
InChIInChI=1S/C19H20FN3O6/c1-11(29-14-6-4-3-5-13(14)20)18(25)22-23-19(26)12-7-8-15(16(9-12)27-2)28-10-17(21)24/h3-9,11H,10H2,1-2H3,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyMNNUCQATYAUANE-UHFFFAOYSA-N
MW405.38 g/mol
LogP0.93
Rot. Bonds8

About 2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide

2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide (PubChem CID 55413100) has the molecular formula C19H20FN3O6 and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
PubChem CID55413100
Molecular FormulaC19H20FN3O6
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)NNC(=O)C(C)Oc2ccccc2F)ccc1OCC(N)=O
InChIInChI=1S/C19H20FN3O6/c1-11(29-14-6-4-3-5-13(14)20)18(25)22-23-19(26)12-7-8-15(16(9-12)27-2)28-10-17(21)24/h3-9,11H,10H2,1-2H3,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyMNNUCQATYAUANE-UHFFFAOYSA-N
XLogP0.93
TPSA128.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9084762
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41410915
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methoxy-3-nitrobenzohydrazide
CID 7927420
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]naphthalene-2-carbohydrazide
CID 7760964
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 17130050
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9393219
N'-[(2R)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640641
N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-4-methylsulfanylbenzohydrazide
CID 8640633
3-(difluoromethoxy)-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7927406

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide (CID 55413100) is 2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide is COc1cc(C(=O)NNC(=O)C(C)Oc2ccccc2F)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide?
The InChIKey is MNNUCQATYAUANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O6/c1-11(29-14-6-4-3-5-13(14)20)18(25)22-23-19(26)12-7-8-15(16(9-12)27-2)28-10-17(21)24/h3-9,11H,10H2,1-2H3,(H2,21,24)(H,22,25)(H,23,26).
What are the key properties of 2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide?
2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide has a molecular weight of 405.38 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 55413100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).