[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate

C19H20ClNO3 — CID 9063158

IUPAC[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H20ClNO3/c1-12-4-7-15(8-5-12)10-18(22)24-14(3)19(23)21-17-11-16(20)9-6-13(17)2/h4-9,11,14H,10H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyHVLJQHPVBOKFFX-CQSZACIVSA-N
MW345.83 g/mol
LogP4.07
Rot. Bonds5

About [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate

[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate (PubChem CID 9063158) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
PubChem CID9063158
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H20ClNO3/c1-12-4-7-15(8-5-12)10-18(22)24-14(3)19(23)21-17-11-16(20)9-6-13(17)2/h4-9,11,14H,10H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyHVLJQHPVBOKFFX-CQSZACIVSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 46827079
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8950186
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 55423633
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
[(2S)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738294
[(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063100
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 55417635
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8527103
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773233
[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
CID 8959371
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750329
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 8575763

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate?
The IUPAC name of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate (CID 9063158) is [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate.
What is the SMILES notation for [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate?
The canonical SMILES for [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate is Cc1ccc(CC(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate?
The InChIKey is HVLJQHPVBOKFFX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-12-4-7-15(8-5-12)10-18(22)24-14(3)19(23)21-17-11-16(20)9-6-13(17)2/h4-9,11,14H,10H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate?
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate has a molecular weight of 345.83 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate is sourced from PubChem (CID 9063158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).