[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C18H23ClN2O4 — CID 2547362

IUPAC[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C18H23ClN2O4/c1-12-7-8-15(14(19)9-12)21-16(22)11-25-17(23)10-20-18(24)13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyUXQODLHTJVZHJW-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.83
Rot. Bonds6

About [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2547362) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2547362
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C18H23ClN2O4/c1-12-7-8-15(14(19)9-12)21-16(22)11-25-17(23)10-20-18(24)13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyUXQODLHTJVZHJW-UHFFFAOYSA-N
XLogP2.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751589
[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547405
9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987894
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
[2-(2,4-dimethylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495268
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807697
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015508
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547340
[2-(2-nitroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807700
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2098588
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 5-[(3R)-dithiolan-3-yl]pentanoate
CID 7963223
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2547362) is [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is Cc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is UXQODLHTJVZHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c1-12-7-8-15(14(19)9-12)21-16(22)11-25-17(23)10-20-18(24)13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 366.85 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2547362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).