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

C19H20ClNO5 — CID 8866266

IUPAC[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
SMILESCOc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO5/c1-12(18(22)21-16-6-4-5-7-17(16)24-3)26-19(23)13(2)25-15-10-8-14(20)9-11-15/h4-13H,1-3H3,(H,21,22)/t12-,13+/m1/s1
InChIKeyTXZLKTRLILWIKU-OLZOCXBDSA-N
MW377.82 g/mol
LogP3.69
Rot. Bonds7

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

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate (PubChem CID 8866266) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
PubChem CID8866266
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
SMILESCOc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO5/c1-12(18(22)21-16-6-4-5-7-17(16)24-3)26-19(23)13(2)25-15-10-8-14(20)9-11-15/h4-13H,1-3H3,(H,21,22)/t12-,13+/m1/s1
InChIKeyTXZLKTRLILWIKU-OLZOCXBDSA-N
XLogP3.69
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833581
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984850
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862498
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 55518336
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 46622069
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246
N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 17087061
2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 2628202

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate?
The IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate (CID 8866266) is [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate is COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate?
The InChIKey is TXZLKTRLILWIKU-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-12(18(22)21-16-6-4-5-7-17(16)24-3)26-19(23)13(2)25-15-10-8-14(20)9-11-15/h4-13H,1-3H3,(H,21,22)/t12-,13+/m1/s1.
What are the key properties of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate?
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate has a molecular weight of 377.82 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 8866266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).