[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

C19H20ClNO4 — CID 7779559

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H20ClNO4/c1-12-5-4-6-16(14(12)3)21-18(22)10-25-19(23)11-24-17-8-7-15(20)9-13(17)2/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyDCFODUREGZKJLL-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.83
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 7779559) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID7779559
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H20ClNO4/c1-12-5-4-6-16(14(12)3)21-18(22)10-25-19(23)11-24-17-8-7-15(20)9-13(17)2/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyDCFODUREGZKJLL-UHFFFAOYSA-N
XLogP3.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300862
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 16525238
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982074
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 35564996
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021074
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982072
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (CID 7779559) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is DCFODUREGZKJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-12-5-4-6-16(14(12)3)21-18(22)10-25-19(23)11-24-17-8-7-15(20)9-13(17)2/h4-9H,10-11H2,1-3H3,(H,21,22).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 361.83 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 7779559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).