[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate

C19H17Cl2NO4 — CID 7880791

IUPAC[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCc1ccc(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H17Cl2NO4/c1-11-3-5-13(6-4-11)18(24)12(2)26-17(23)10-22-19(25)14-7-8-15(20)16(21)9-14/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyDJJWVSOGJKKIIQ-GFCCVEGCSA-N
MW394.25 g/mol
LogP3.85
Rot. Bonds6

About [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate

[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 7880791) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID7880791
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCc1ccc(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H17Cl2NO4/c1-11-3-5-13(6-4-11)18(24)12(2)26-17(23)10-22-19(25)14-7-8-15(20)16(21)9-14/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyDJJWVSOGJKKIIQ-GFCCVEGCSA-N
XLogP3.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate with MolForge

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Related Compounds

[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878798
[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880684
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 42922170
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880664
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 42969065
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 8521819
[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 29155077
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 42969066
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920750

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 7880791) is [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate is Cc1ccc(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is DJJWVSOGJKKIIQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c1-11-3-5-13(6-4-11)18(24)12(2)26-17(23)10-22-19(25)14-7-8-15(20)16(21)9-14/h3-9,12H,10H2,1-2H3,(H,22,25)/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 394.25 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7880791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).