[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate

C23H20ClNO4 — CID 7847274

IUPAC[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccccc1Cl)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H20ClNO4/c1-16(29-22(26)15-28-21-14-8-6-12-19(21)24)23(27)25-20-13-7-5-11-18(20)17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m1/s1
InChIKeyMARRJTTVTHGJSO-MRXNPFEDSA-N
MW409.87 g/mol
LogP4.96
Rot. Bonds7

About [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate

[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate (PubChem CID 7847274) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate
PubChem CID7847274
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccccc1Cl)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H20ClNO4/c1-16(29-22(26)15-28-21-14-8-6-12-19(21)24)23(27)25-20-13-7-5-11-18(20)17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m1/s1
InChIKeyMARRJTTVTHGJSO-MRXNPFEDSA-N
XLogP4.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854072
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
CID 7980293
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608700
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847270
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-nitrophenoxy)acetate
CID 42968431
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791471
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8909442
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 46620180
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate
CID 18273755
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 23737319
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 55525762
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 42968519

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate (CID 7847274) is [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate is C[C@@H](OC(=O)COc1ccccc1Cl)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate?
The InChIKey is MARRJTTVTHGJSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20ClNO4/c1-16(29-22(26)15-28-21-14-8-6-12-19(21)24)23(27)25-20-13-7-5-11-18(20)17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate?
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate has a molecular weight of 409.87 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 7847274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).