[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate

C19H17Cl2NO4 — CID 9487871

IUPAC[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H17Cl2NO4/c1-11(2)18(24)22-14-6-3-12(4-7-14)17(23)10-26-19(25)15-8-5-13(20)9-16(15)21/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyYQODZJOGIJVITN-UHFFFAOYSA-N
MW394.25 g/mol
LogP4.63
Rot. Bonds6

About [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate

[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate (PubChem CID 9487871) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate
PubChem CID9487871
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H17Cl2NO4/c1-11(2)18(24)22-14-6-3-12(4-7-14)17(23)10-26-19(25)15-8-5-13(20)9-16(15)21/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyYQODZJOGIJVITN-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 40747705
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508224
[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 2715251
[2-(4-acetamidophenyl)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8650177
[2-(4-acetamidophenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7754563
[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863033
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664205
[2-(4-nitrophenyl)-2-oxoethyl] 4-[(2,4-dichlorobenzoyl)amino]benzoate
CID 1216559
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7862951
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate
CID 27737556
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2-methylpropanoylamino)benzoate
CID 3976031
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate
CID 7797215

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate?
The IUPAC name of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate (CID 9487871) is [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate?
The canonical SMILES for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate is CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate?
The InChIKey is YQODZJOGIJVITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c1-11(2)18(24)22-14-6-3-12(4-7-14)17(23)10-26-19(25)15-8-5-13(20)9-16(15)21/h3-9,11H,10H2,1-2H3,(H,22,24).
What are the key properties of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate?
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate has a molecular weight of 394.25 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 9487871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).