methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate

C13H15Cl2NO4 — CID 96539434

IUPACmethyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
SMILESCOC[C@@](C)(NC(=O)c1ccc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C13H15Cl2NO4/c1-13(7-19-2,12(18)20-3)16-11(17)9-5-4-8(14)6-10(9)15/h4-6H,7H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyQTEPKJVAUHVEBL-CYBMUJFWSA-N
MW320.17 g/mol
LogP2.30
Rot. Bonds5

About methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate

methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate (PubChem CID 96539434) has the molecular formula C13H15Cl2NO4 and a molecular weight of 320.17 g/mol. Its IUPAC name is methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
PubChem CID96539434
Molecular FormulaC13H15Cl2NO4
Molecular Weight320.17 g/mol
Exact Mass319.04
IUPAC Namemethyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
SMILESCOC[C@@](C)(NC(=O)c1ccc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C13H15Cl2NO4/c1-13(7-19-2,12(18)20-3)16-11(17)9-5-4-8(14)6-10(9)15/h4-6H,7H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyQTEPKJVAUHVEBL-CYBMUJFWSA-N
XLogP2.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
methyl (2R)-2-[(2,4-dichlorophenyl)methylamino]-3-methoxy-2-methylpropanoate
CID 97253468
methyl (2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbutanoate
CID 94810009
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531764
methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate
CID 95332256
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 115738829
methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
CID 43074427
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide;hydrochloride
CID 119760977

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate?
The IUPAC name of methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate (CID 96539434) is methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate?
The canonical SMILES for methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate is COC[C@@](C)(NC(=O)c1ccc(Cl)cc1Cl)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate?
The InChIKey is QTEPKJVAUHVEBL-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15Cl2NO4/c1-13(7-19-2,12(18)20-3)16-11(17)9-5-4-8(14)6-10(9)15/h4-6H,7H2,1-3H3,(H,16,17)/t13-/m1/s1.
What are the key properties of methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate?
methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate has a molecular weight of 320.17 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate is sourced from PubChem (CID 96539434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).