[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate

C20H21ClFNO5 — CID 8741274

IUPAC[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
SMILESCCCOc1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H21ClFNO5/c1-3-10-26-17-6-4-5-7-18(17)27-12-19(24)28-13(2)20(25)23-16-9-8-14(21)11-15(16)22/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyHWNXJQJBJNBKGJ-CYBMUJFWSA-N
MW409.84 g/mol
LogP4.22
Rot. Bonds9

About [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate

[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate (PubChem CID 8741274) has the molecular formula C20H21ClFNO5 and a molecular weight of 409.84 g/mol. Its IUPAC name is [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
PubChem CID8741274
Molecular FormulaC20H21ClFNO5
Molecular Weight409.84 g/mol
Exact Mass409.11
IUPAC Name[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
SMILESCCCOc1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H21ClFNO5/c1-3-10-26-17-6-4-5-7-18(17)27-12-19(24)28-13(2)20(25)23-16-9-8-14(21)11-15(16)22/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyHWNXJQJBJNBKGJ-CYBMUJFWSA-N
XLogP4.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791131
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 8850905
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885388
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847270
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791157
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8913382
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9274542
2-(2,4-dichlorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 42997775
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 55418829
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735984
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938441
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7764675

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate?
The IUPAC name of [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate (CID 8741274) is [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate.
What is the SMILES notation for [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate?
The canonical SMILES for [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate is CCCOc1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate?
The InChIKey is HWNXJQJBJNBKGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21ClFNO5/c1-3-10-26-17-6-4-5-7-18(17)27-12-19(24)28-13(2)20(25)23-16-9-8-14(21)11-15(16)22/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,25)/t13-/m1/s1.
What are the key properties of [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate?
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate has a molecular weight of 409.84 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate is sourced from PubChem (CID 8741274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).