[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate

C19H20ClNO4 — CID 9310631

IUPAC[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
SMILESCOc1ccc(C)cc1CC(=O)O[C@H](C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H20ClNO4/c1-12-8-9-17(24-3)14(10-12)11-18(22)25-13(2)19(23)21-16-7-5-4-6-15(16)20/h4-10,13H,11H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyZKZYYDRDGNEIJO-CYBMUJFWSA-N
MW361.83 g/mol
LogP3.77
Rot. Bonds6

About [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate

[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate (PubChem CID 9310631) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
PubChem CID9310631
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
SMILESCOc1ccc(C)cc1CC(=O)O[C@H](C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H20ClNO4/c1-12-8-9-17(24-3)14(10-12)11-18(22)25-13(2)19(23)21-16-7-5-4-6-15(16)20/h4-10,13H,11H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyZKZYYDRDGNEIJO-CYBMUJFWSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
CID 9310634
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886114
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 46630104
[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
CID 9310669
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methylsulfanyl]acetate
CID 8979493
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
CID 9310675
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 55417653
[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886294
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8735384
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8617185
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385318
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525198

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate?
The IUPAC name of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate (CID 9310631) is [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate.
What is the SMILES notation for [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate?
The canonical SMILES for [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate is COc1ccc(C)cc1CC(=O)O[C@H](C)C(=O)Nc1ccccc1Cl.
What is the InChIKey of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate?
The InChIKey is ZKZYYDRDGNEIJO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-12-8-9-17(24-3)14(10-12)11-18(22)25-13(2)19(23)21-16-7-5-4-6-15(16)20/h4-10,13H,11H2,1-3H3,(H,21,23)/t13-/m1/s1.
What are the key properties of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate?
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate has a molecular weight of 361.83 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate is sourced from PubChem (CID 9310631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).