methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate

C14H17Cl2NO3 — CID 43423938

IUPACmethyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C14H17Cl2NO3/c1-4-7-14(2,13(19)20-3)17-12(18)10-6-5-9(15)8-11(10)16/h5-6,8H,4,7H2,1-3H3,(H,17,18)
InChIKeyPUENABJLQBXNTA-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.45
Rot. Bonds5

About methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate

methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate (PubChem CID 43423938) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
PubChem CID43423938
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Namemethyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C14H17Cl2NO3/c1-4-7-14(2,13(19)20-3)17-12(18)10-6-5-9(15)8-11(10)16/h5-6,8H,4,7H2,1-3H3,(H,17,18)
InChIKeyPUENABJLQBXNTA-UHFFFAOYSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
CID 96539434
methyl (2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbutanoate
CID 94810009
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
methyl 2-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpentanoate
CID 43423763
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423685
2,4-dichloro-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]benzamide
CID 175051329
methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
CID 112822198
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
1-chloro-3-methylbenzene;methyl 2-acetamido-2-methylpentanoate
CID 174325893

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate (CID 43423938) is methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1ccc(Cl)cc1Cl)C(=O)OC.
What is the InChIKey of methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate?
The InChIKey is PUENABJLQBXNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-4-7-14(2,13(19)20-3)17-12(18)10-6-5-9(15)8-11(10)16/h5-6,8H,4,7H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate?
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate has a molecular weight of 318.20 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate is sourced from PubChem (CID 43423938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).