[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate

C20H21Cl2NO3 — CID 7891762

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H21Cl2NO3/c1-20(2,3)15-7-4-13(5-8-15)19(25)26-12-18(24)23-11-14-6-9-16(21)10-17(14)22/h4-10H,11-12H2,1-3H3,(H,23,24)
InChIKeyDKGKWFDAAVAPCO-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.76
Rot. Bonds5

About [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate (PubChem CID 7891762) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
PubChem CID7891762
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
SMILESCC(C)(C)c1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H21Cl2NO3/c1-20(2,3)15-7-4-13(5-8-15)19(25)26-12-18(24)23-11-14-6-9-16(21)10-17(14)22/h4-10H,11-12H2,1-3H3,(H,23,24)
InChIKeyDKGKWFDAAVAPCO-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 2592336
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612438
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984592
2-[(E)-(4-tert-butylphenyl)methylideneamino]oxy-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 6905651
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571261
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 71820721
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7486908
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535330
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 2710388

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate (CID 7891762) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate is CC(C)(C)c1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate?
The InChIKey is DKGKWFDAAVAPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-20(2,3)15-7-4-13(5-8-15)19(25)26-12-18(24)23-11-14-6-9-16(21)10-17(14)22/h4-10H,11-12H2,1-3H3,(H,23,24).
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate has a molecular weight of 394.30 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate is sourced from PubChem (CID 7891762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).