[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate

C20H19Cl2NO4 — CID 7722764

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C20H19Cl2NO4/c1-20(2,3)13-9-7-12(8-10-13)18(25)23-16(24)11-27-19(26)14-5-4-6-15(21)17(14)22/h4-10H,11H2,1-3H3,(H,23,24,25)
InChIKeySWHCNYCPBDRQOY-UHFFFAOYSA-N
MW408.28 g/mol
LogP4.40
Rot. Bonds4

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate (PubChem CID 7722764) has the molecular formula C20H19Cl2NO4 and a molecular weight of 408.28 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
PubChem CID7722764
Molecular FormulaC20H19Cl2NO4
Molecular Weight408.28 g/mol
Exact Mass407.07
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C20H19Cl2NO4/c1-20(2,3)13-9-7-12(8-10-13)18(25)23-16(24)11-27-19(26)14-5-4-6-15(21)17(14)22/h4-10H,11H2,1-3H3,(H,23,24,25)
InChIKeySWHCNYCPBDRQOY-UHFFFAOYSA-N
XLogP4.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate with MolForge

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Related Compounds

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891349
(2-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
CID 7696392
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891483
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-bromobenzoate
CID 7889691
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487334
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814464
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399528
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,3-dichlorobenzoate
CID 2446620
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2645595
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 9202999
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
CID 7851351

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate (CID 7722764) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate is CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate?
The InChIKey is SWHCNYCPBDRQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO4/c1-20(2,3)13-9-7-12(8-10-13)18(25)23-16(24)11-27-19(26)14-5-4-6-15(21)17(14)22/h4-10H,11H2,1-3H3,(H,23,24,25).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate has a molecular weight of 408.28 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate is sourced from PubChem (CID 7722764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).