[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate

C18H17Cl2NO5 — CID 8867861

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO5/c1-11(26-14-6-3-12(19)4-7-14)18(23)25-10-17(22)21-15-9-13(20)5-8-16(15)24-2/h3-9,11H,10H2,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyBPDNQTMMQRSNEY-LLVKDONJSA-N
MW398.24 g/mol
LogP3.95
Rot. Bonds7

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate (PubChem CID 8867861) has the molecular formula C18H17Cl2NO5 and a molecular weight of 398.24 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
PubChem CID8867861
Molecular FormulaC18H17Cl2NO5
Molecular Weight398.24 g/mol
Exact Mass397.05
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO5/c1-11(26-14-6-3-12(19)4-7-14)18(23)25-10-17(22)21-15-9-13(20)5-8-16(15)24-2/h3-9,11H,10H2,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyBPDNQTMMQRSNEY-LLVKDONJSA-N
XLogP3.95
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867717
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791367
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
[2-(2,4-dichloroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984198
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868039
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985054
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864971
methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373
methyl 4-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965358

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate (CID 8867861) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate is COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
The InChIKey is BPDNQTMMQRSNEY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17Cl2NO5/c1-11(26-14-6-3-12(19)4-7-14)18(23)25-10-17(22)21-15-9-13(20)5-8-16(15)24-2/h3-9,11H,10H2,1-2H3,(H,21,22)/t11-/m1/s1.
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate has a molecular weight of 398.24 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 8867861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).