[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

C20H21Cl2NO4 — CID 7865772

IUPAC[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCC[C@@H](C)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H21Cl2NO4/c1-3-13(2)14-4-7-16(8-5-14)23-19(24)11-27-20(25)12-26-18-9-6-15(21)10-17(18)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyAJEKRCJBFCTIDQ-CYBMUJFWSA-N
MW410.30 g/mol
LogP5.07
Rot. Bonds8

About [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 7865772) has the molecular formula C20H21Cl2NO4 and a molecular weight of 410.30 g/mol. Its IUPAC name is [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID7865772
Molecular FormulaC20H21Cl2NO4
Molecular Weight410.30 g/mol
Exact Mass409.08
IUPAC Name[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCC[C@@H](C)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H21Cl2NO4/c1-3-13(2)14-4-7-16(8-5-14)23-19(24)11-27-20(25)12-26-18-9-6-15(21)10-17(18)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyAJEKRCJBFCTIDQ-CYBMUJFWSA-N
XLogP5.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate with MolForge

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7313472
2-(4-bromo-2-chlorophenoxy)-N-(4-butan-2-ylphenyl)acetamide
CID 4623642
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2407772
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844626
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 2105203
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2378781
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (CID 7865772) is [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is CC[C@@H](C)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is AJEKRCJBFCTIDQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21Cl2NO4/c1-3-13(2)14-4-7-16(8-5-14)23-19(24)11-27-20(25)12-26-18-9-6-15(21)10-17(18)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,24)/t13-/m1/s1.
What are the key properties of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 410.30 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 7865772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).