[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C17H21ClN2O4 — CID 2547405

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O4/c18-13-6-8-14(9-7-13)20-15(21)11-24-16(22)10-19-17(23)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,19,23)(H,20,21)
InChIKeyVKYGMLIFPURAFO-UHFFFAOYSA-N
MW352.82 g/mol
LogP2.52
Rot. Bonds6

About [2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2547405) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2547405
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O4/c18-13-6-8-14(9-7-13)20-15(21)11-24-16(22)10-19-17(23)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,19,23)(H,20,21)
InChIKeyVKYGMLIFPURAFO-UHFFFAOYSA-N
XLogP2.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547340
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2098588
(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
CID 8662028
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547362
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807697
3-amino-N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119747250
[2-(2-nitroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807700
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2510921
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
[2-(4-iodoanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2488185
[2-(4-chloroanilino)-2-oxoethyl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635506
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807689

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2547405) is [2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is VKYGMLIFPURAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c18-13-6-8-14(9-7-13)20-15(21)11-24-16(22)10-19-17(23)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,19,23)(H,20,21).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 352.82 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2547405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).