[2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate

C20H22ClNO3 — CID 7772957

IUPAC[2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
SMILESCC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H22ClNO3/c1-3-14(2)19(15-9-5-4-6-10-15)20(24)25-13-18(23)22-17-12-8-7-11-16(17)21/h4-12,14,19H,3,13H2,1-2H3,(H,22,23)/t14-,19+/m0/s1
InChIKeyGXNZVESZBGMFEC-IFXJQAMLSA-N
MW359.85 g/mol
LogP4.65
Rot. Bonds7

About [2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate

[2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate (PubChem CID 7772957) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
PubChem CID7772957
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
SMILESCC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H22ClNO3/c1-3-14(2)19(15-9-5-4-6-10-15)20(24)25-13-18(23)22-17-12-8-7-11-16(17)21/h4-12,14,19H,3,13H2,1-2H3,(H,22,23)/t14-,19+/m0/s1
InChIKeyGXNZVESZBGMFEC-IFXJQAMLSA-N
XLogP4.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate with MolForge

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133350
[2-(2-cyanoanilino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772960
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-methyl-2-phenylpentanoate
CID 55422375
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7773023
[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772578
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772946
[2-oxo-2-(phenylcarbamoylamino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 8970656
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337
[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772689
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772394
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772205

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate (CID 7772957) is [2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate is CC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1ccccc1Cl)c1ccccc1.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
The InChIKey is GXNZVESZBGMFEC-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-3-14(2)19(15-9-5-4-6-10-15)20(24)25-13-18(23)22-17-12-8-7-11-16(17)21/h4-12,14,19H,3,13H2,1-2H3,(H,22,23)/t14-,19+/m0/s1.
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
[2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate has a molecular weight of 359.85 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate is sourced from PubChem (CID 7772957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).