[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate

C20H20ClNO5 — CID 8864581

IUPAC[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H20ClNO5/c1-12(23)15-5-4-6-17(11-15)22-19(24)13(2)27-20(25)14(3)26-18-9-7-16(21)8-10-18/h4-11,13-14H,1-3H3,(H,22,24)/t13-,14+/m0/s1
InChIKeyWUPFZPRPIGVEHN-UONOGXRCSA-N
MW389.84 g/mol
LogP3.88
Rot. Bonds7

About [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate

[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate (PubChem CID 8864581) has the molecular formula C20H20ClNO5 and a molecular weight of 389.84 g/mol. Its IUPAC name is [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
PubChem CID8864581
Molecular FormulaC20H20ClNO5
Molecular Weight389.84 g/mol
Exact Mass389.10
IUPAC Name[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H20ClNO5/c1-12(23)15-5-4-6-17(11-15)22-19(24)13(2)27-20(25)14(3)26-18-9-7-16(21)8-10-18/h4-11,13-14H,1-3H3,(H,22,24)/t13-,14+/m0/s1
InChIKeyWUPFZPRPIGVEHN-UONOGXRCSA-N
XLogP3.88
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977782
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977779
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750150
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7977765
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 2603355
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2458958
methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
CID 17413178
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate?
The IUPAC name of [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate (CID 8864581) is [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate is CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate?
The InChIKey is WUPFZPRPIGVEHN-UONOGXRCSA-N. The full InChI is InChI=1S/C20H20ClNO5/c1-12(23)15-5-4-6-17(11-15)22-19(24)13(2)27-20(25)14(3)26-18-9-7-16(21)8-10-18/h4-11,13-14H,1-3H3,(H,22,24)/t13-,14+/m0/s1.
What are the key properties of [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate?
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate has a molecular weight of 389.84 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 8864581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).