propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate

C13H15Cl2NO3 — CID 110191872

IUPACpropan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate
SMILESCC(C)OC(=O)C(C)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-7(2)19-13(18)8(3)16-12(17)10-5-4-9(14)6-11(10)15/h4-8H,1-3H3,(H,16,17)
InChIKeyCSEWSOYSCPJPMI-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.06
Rot. Bonds4

About propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate

propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate (PubChem CID 110191872) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate
PubChem CID110191872
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Namepropan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate
SMILESCC(C)OC(=O)C(C)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-7(2)19-13(18)8(3)16-12(17)10-5-4-9(14)6-11(10)15/h4-8H,1-3H3,(H,16,17)
InChIKeyCSEWSOYSCPJPMI-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55926372
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
2-[(2,4-dichlorobenzoyl)amino]propanedioic acid
CID 68576201
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305887
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570790
2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 46756631
[(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570838
2-[(2,4-dichlorobenzoyl)amino]-3-methylsulfanylpropanoic acid
CID 110189851

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate?
The IUPAC name of propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate (CID 110191872) is propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate?
The canonical SMILES for propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate is CC(C)OC(=O)C(C)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate?
The InChIKey is CSEWSOYSCPJPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-7(2)19-13(18)8(3)16-12(17)10-5-4-9(14)6-11(10)15/h4-8H,1-3H3,(H,16,17).
What are the key properties of propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate?
propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate has a molecular weight of 304.17 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate is sourced from PubChem (CID 110191872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).