methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate

C19H20ClNO4 — CID 55320823

IUPACmethyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate
SMILESCCc1cccc(C)c1NC(=O)COc1ccc(C(=O)OC)cc1Cl
InChIInChI=1S/C19H20ClNO4/c1-4-13-7-5-6-12(2)18(13)21-17(22)11-25-16-9-8-14(10-15(16)20)19(23)24-3/h5-10H,4,11H2,1-3H3,(H,21,22)
InChIKeyNVQFZGANTZDWFC-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.01
Rot. Bonds6

About methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate

methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate (PubChem CID 55320823) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate
PubChem CID55320823
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Namemethyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate
SMILESCCc1cccc(C)c1NC(=O)COc1ccc(C(=O)OC)cc1Cl
InChIInChI=1S/C19H20ClNO4/c1-4-13-7-5-6-12(2)18(13)21-17(22)11-25-16-9-8-14(10-15(16)20)19(23)24-3/h5-10H,4,11H2,1-3H3,(H,21,22)
InChIKeyNVQFZGANTZDWFC-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 960097
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
2-(4-bromo-2-chlorophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 2230439
methyl 3-chloro-4-[2-oxo-2-(2,4,5-trichloroanilino)ethoxy]benzoate
CID 55320888
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021597
N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178089
2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7979886
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112996997
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
methyl 4-chloro-3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 8909813

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate (CID 55320823) is methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate is CCc1cccc(C)c1NC(=O)COc1ccc(C(=O)OC)cc1Cl.
What is the InChIKey of methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate?
The InChIKey is NVQFZGANTZDWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-4-13-7-5-6-12(2)18(13)21-17(22)11-25-16-9-8-14(10-15(16)20)19(23)24-3/h5-10H,4,11H2,1-3H3,(H,21,22).
What are the key properties of methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate?
methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate has a molecular weight of 361.83 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 55320823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).